4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C19H24N8 — CID 133409658

IUPAC4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCN1CCN(c2ccc(CNc3ncnc4nc(N)ccc34)cn2)CC1
InChIInChI=1S/C19H24N8/c1-2-26-7-9-27(10-8-26)17-6-3-14(11-21-17)12-22-18-15-4-5-16(20)25-19(15)24-13-23-18/h3-6,11,13H,2,7-10,12H2,1H3,(H3,20,22,23,24,25)
InChIKeyVDLVTRAACKRDCK-UHFFFAOYSA-N
MW364.46 g/mol
LogP1.76
Rot. Bonds5

About 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133409658) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133409658
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCN1CCN(c2ccc(CNc3ncnc4nc(N)ccc34)cn2)CC1
InChIInChI=1S/C19H24N8/c1-2-26-7-9-27(10-8-26)17-6-3-14(11-21-17)12-22-18-15-4-5-16(20)25-19(15)24-13-23-18/h3-6,11,13H,2,7-10,12H2,1H3,(H3,20,22,23,24,25)
InChIKeyVDLVTRAACKRDCK-UHFFFAOYSA-N
XLogP1.76
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86805430
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
3-chloro-2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]benzonitrile
CID 133317369
4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133396106
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
4-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133317356
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55744205
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232712

Frequently Asked Questions

What is the IUPAC name of 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133409658) is 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CCN1CCN(c2ccc(CNc3ncnc4nc(N)ccc34)cn2)CC1.
What is the InChIKey of 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is VDLVTRAACKRDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-2-26-7-9-27(10-8-26)17-6-3-14(11-21-17)12-22-18-15-4-5-16(20)25-19(15)24-13-23-18/h3-6,11,13H,2,7-10,12H2,1H3,(H3,20,22,23,24,25).
What are the key properties of 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 364.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133409658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).