2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine

C39H50N12S2 — CID 153396561

IUPAC2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1.CN1CCN(c2nc(NCCc3cccs3)c3ccncc3n2)CC1
InChIInChI=1S/C21H28N6S.C18H22N6S/c1-15(2)18-13-17-19(14-23-18)24-21(27-10-8-26(3)9-11-27)25-20(17)22-7-6-16-5-4-12-28-16;1-23-8-10-24(11-9-23)18-21-16-13-19-6-5-15(16)17(22-18)20-7-4-14-3-2-12-25-14/h4-5,12-15H,6-11H2,1-3H3,(H,22,24,25);2-3,5-6,12-13H,4,7-11H2,1H3,(H,20,21,22)
InChIKeyNZSGUVLYWSYYKX-UHFFFAOYSA-N
MW751.05 g/mol
LogP6.11
Rot. Bonds11

About 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine

2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 153396561) has the molecular formula C39H50N12S2 and a molecular weight of 751.05 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID153396561
Molecular FormulaC39H50N12S2
Molecular Weight751.05 g/mol
Exact Mass750.37
IUPAC Name2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1.CN1CCN(c2nc(NCCc3cccs3)c3ccncc3n2)CC1
InChIInChI=1S/C21H28N6S.C18H22N6S/c1-15(2)18-13-17-19(14-23-18)24-21(27-10-8-26(3)9-11-27)25-20(17)22-7-6-16-5-4-12-28-16;1-23-8-10-24(11-9-23)18-21-16-13-19-6-5-15(16)17(22-18)20-7-4-14-3-2-12-25-14/h4-5,12-15H,6-11H2,1-3H3,(H,22,24,25);2-3,5-6,12-13H,4,7-11H2,1H3,(H,20,21,22)
InChIKeyNZSGUVLYWSYYKX-UHFFFAOYSA-N
XLogP6.11
TPSA114.36 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500751.05
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
(2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmethyl-amine
CID 9995367
N1-(7-(thiophen-2-yl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10286183
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 21362604
7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556371
N2-(4-Aminocyclohexyl)-9-cyclopentyl-N6-((6-(thiophen-2-yl)pyridin-3-yl)methyl)-9H-purine-2,6-diamine
CID 71817796
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-thiophen-3-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine
CID 71817797
6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145978122
N-[(3R)-1-[4-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
CID 146197324
N-[(3S)-1-[4-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
CID 146197371
N-[1-[4-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethylamino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
CID 146197408

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 153396561) is 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine is CC(C)c1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1.CN1CCN(c2nc(NCCc3cccs3)c3ccncc3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is NZSGUVLYWSYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6S.C18H22N6S/c1-15(2)18-13-17-19(14-23-18)24-21(27-10-8-26(3)9-11-27)25-20(17)22-7-6-16-5-4-12-28-16;1-23-8-10-24(11-9-23)18-21-16-13-19-6-5-15(16)17(22-18)20-7-4-14-3-2-12-25-14/h4-5,12-15H,6-11H2,1-3H3,(H,22,24,25);2-3,5-6,12-13H,4,7-11H2,1H3,(H,20,21,22).
What are the key properties of 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine?
2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 751.05 g/mol, XLogP of 6.11, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 153396561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).