8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C19H26N8 — CID 143097915

IUPAC8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCCc1cnn2c(NCc3cncnc3)nc(N[C@H]3CCCC[C@H]3C)nc12
InChIInChI=1S/C19H26N8/c1-3-15-11-23-27-17(15)25-18(24-16-7-5-4-6-13(16)2)26-19(27)22-10-14-8-20-12-21-9-14/h8-9,11-13,16H,3-7,10H2,1-2H3,(H2,22,24,25,26)/t13-,16+/m1/s1
InChIKeyKDROQANHTJTDSQ-CJNGLKHVSA-N
MW366.47 g/mol
LogP3.08
Rot. Bonds6

About 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 143097915) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID143097915
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCCc1cnn2c(NCc3cncnc3)nc(N[C@H]3CCCC[C@H]3C)nc12
InChIInChI=1S/C19H26N8/c1-3-15-11-23-27-17(15)25-18(24-16-7-5-4-6-13(16)2)26-19(27)22-10-14-8-20-12-21-9-14/h8-9,11-13,16H,3-7,10H2,1-2H3,(H2,22,24,25,26)/t13-,16+/m1/s1
InChIKeyKDROQANHTJTDSQ-CJNGLKHVSA-N
XLogP3.08
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine with MolForge

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Related Compounds

1-ethyl-4-[[[8-[4-[4-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-2-oxo-1-pyridinyl]butyl]-2-[[(1S,2R)-2-methylcyclohexyl]amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one
CID 143097918
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889
CID 176916867
CID 176916867
8-bromo-2-N-[2-(methylamino)cyclohexyl]-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;ethane
CID 176916939
8-bromo-2-N-[(1S,2S)-2-(methylamino)cyclopentyl]-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 176916968
N-(2-methylcyclopentyl)pyrimidin-5-amine
CID 107587748
6-N-ethyl-2-N-(2-methylcyclohexyl)pyrazine-2,6-diamine
CID 78917909
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
CID 93112285
CID 176916944
CID 176916944
4-N-methyl-2-N-(2-methylcyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80829419
5-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-1-methylpyridin-2-one
CID 23569317

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 143097915) is 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CCc1cnn2c(NCc3cncnc3)nc(N[C@H]3CCCC[C@H]3C)nc12.
What is the InChIKey of 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is KDROQANHTJTDSQ-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H26N8/c1-3-15-11-23-27-17(15)25-18(24-16-7-5-4-6-13(16)2)26-19(27)22-10-14-8-20-12-21-9-14/h8-9,11-13,16H,3-7,10H2,1-2H3,(H2,22,24,25,26)/t13-,16+/m1/s1.
What are the key properties of 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 366.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 143097915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).