[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium

C17H24ClN8+ — CID 163988858

IUPAC[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium
SMILESCC(C)n1cc(Nc2nc([NH+](C)C(C)C3CC3)c3[nH]cnc3n2)c(Cl)n1
InChIInChI=1S/C17H23ClN8/c1-9(2)26-7-12(14(18)24-26)21-17-22-15-13(19-8-20-15)16(23-17)25(4)10(3)11-5-6-11/h7-11H,5-6H2,1-4H3,(H2,19,20,21,22,23)/p+1
InChIKeyTYTSJEHTIYYDFN-UHFFFAOYSA-O
MW375.89 g/mol
LogP2.47
Rot. Bonds6

About [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium

[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium (PubChem CID 163988858) has the molecular formula C17H24ClN8+ and a molecular weight of 375.89 g/mol. Its IUPAC name is [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium.

Molecular Properties

Compound Name[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium
PubChem CID163988858
Molecular FormulaC17H24ClN8+
Molecular Weight375.89 g/mol
Exact Mass375.18
IUPAC Name[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium
SMILESCC(C)n1cc(Nc2nc([NH+](C)C(C)C3CC3)c3[nH]cnc3n2)c(Cl)n1
InChIInChI=1S/C17H23ClN8/c1-9(2)26-7-12(14(18)24-26)21-17-22-15-13(19-8-20-15)16(23-17)25(4)10(3)11-5-6-11/h7-11H,5-6H2,1-4H3,(H2,19,20,21,22,23)/p+1
InChIKeyTYTSJEHTIYYDFN-UHFFFAOYSA-O
XLogP2.47
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium with MolForge

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Related Compounds

2-N-[1-[(5S)-5-[[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]-5-cyclopropylpentan-2-yl]-5-methylpyrazol-3-yl]-6-N-[(1S)-1-cyclopropylethyl]-7H-purine-2,6-diamine
CID 129275648
5-chloro-N-(3-chloro-1-propan-2-ylpyrazol-4-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138711064
6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine
CID 129244980
6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine
CID 140943276
2-propan-2-yl-4H-imidazo[4,5-c]pyrazole
CID 164596109
6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine
CID 164740937
6-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-N-(1-propan-2-ylpyrazol-4-yl)-7H-purin-2-amine
CID 129275918
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
CID 114786006
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
3-N-(6-chloro-7H-purin-2-yl)benzene-1,3-diamine
CID 87707609

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium?
The IUPAC name of [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium (CID 163988858) is [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium.
What is the SMILES notation for [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium?
The canonical SMILES for [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium is CC(C)n1cc(Nc2nc([NH+](C)C(C)C3CC3)c3[nH]cnc3n2)c(Cl)n1.
What is the InChIKey of [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium?
The InChIKey is TYTSJEHTIYYDFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23ClN8/c1-9(2)26-7-12(14(18)24-26)21-17-22-15-13(19-8-20-15)16(23-17)25(4)10(3)11-5-6-11/h7-11H,5-6H2,1-4H3,(H2,19,20,21,22,23)/p+1.
What are the key properties of [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium?
[2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium has a molecular weight of 375.89 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-1-propan-2-ylpyrazol-4-yl)amino]-7H-purin-6-yl]-(1-cyclopropylethyl)-methylazanium is sourced from PubChem (CID 163988858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).