2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C18H23N7S — CID 56749262

IUPAC2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc2c(c(N(C)Cc3cc(-c4cccs4)n[nH]3)n1)CCNC2
InChIInChI=1S/C18H23N7S/c1-24(2)18-20-15-10-19-7-6-13(15)17(21-18)25(3)11-12-9-14(23-22-12)16-5-4-8-26-16/h4-5,8-9,19H,6-7,10-11H2,1-3H3,(H,22,23)
InChIKeyNNFOXJGTRICZCT-UHFFFAOYSA-N
MW369.50 g/mol
LogP2.28
Rot. Bonds5

About 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56749262) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID56749262
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCN(C)c1nc2c(c(N(C)Cc3cc(-c4cccs4)n[nH]3)n1)CCNC2
InChIInChI=1S/C18H23N7S/c1-24(2)18-20-15-10-19-7-6-13(15)17(21-18)25(3)11-12-9-14(23-22-12)16-5-4-8-26-16/h4-5,8-9,19H,6-7,10-11H2,1-3H3,(H,22,23)
InChIKeyNNFOXJGTRICZCT-UHFFFAOYSA-N
XLogP2.28
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56866186
2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 95201074
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]acetamide
CID 77086004
N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 172911318
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
CID 56741601
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131942905
N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
CID 91830312
N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide
CID 50974595
N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 114742042
(3R,6S)-1-acetyl-6-amino-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]azepane-3-carboxamide;hydrochloride
CID 166600077

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 56749262) is 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is CN(C)c1nc2c(c(N(C)Cc3cc(-c4cccs4)n[nH]3)n1)CCNC2.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is NNFOXJGTRICZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S/c1-24(2)18-20-15-10-19-7-6-13(15)17(21-18)25(3)11-12-9-14(23-22-12)16-5-4-8-26-16/h4-5,8-9,19H,6-7,10-11H2,1-3H3,(H,22,23).
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 369.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56749262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).