9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine

C13H15N7 — CID 136575184

IUPAC9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine
SMILESCn1cnc2c(NCC3(n4cccn4)CC3)ncnc21
InChIInChI=1S/C13H15N7/c1-19-9-17-10-11(15-8-16-12(10)19)14-7-13(3-4-13)20-6-2-5-18-20/h2,5-6,8-9H,3-4,7H2,1H3,(H,14,15,16)
InChIKeyVEIJACMFQJNCOB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.16
Rot. Bonds4

About 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine

9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine (PubChem CID 136575184) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine
PubChem CID136575184
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine
SMILESCn1cnc2c(NCC3(n4cccn4)CC3)ncnc21
InChIInChI=1S/C13H15N7/c1-19-9-17-10-11(15-8-16-12(10)19)14-7-13(3-4-13)20-6-2-5-18-20/h2,5-6,8-9H,3-4,7H2,1H3,(H,14,15,16)
InChIKeyVEIJACMFQJNCOB-UHFFFAOYSA-N
XLogP1.16
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ST-1535
CID 9860294
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9877796
9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9814428
2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9856035
2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11673316
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-(1-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 89720115
5,8-Dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 165415248
9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 11608581
5-Cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70695149
5-Cyclopropyl-3-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70697222
6-N-butyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 162645290
2-N-(1-methylpyrazol-4-yl)-6-N-(4,4,4-trifluorobutyl)-7H-purine-2,6-diamine
CID 162647682

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine?
The IUPAC name of 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine (CID 136575184) is 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine.
What is the SMILES notation for 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine?
The canonical SMILES for 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine is Cn1cnc2c(NCC3(n4cccn4)CC3)ncnc21.
What is the InChIKey of 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine?
The InChIKey is VEIJACMFQJNCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-19-9-17-10-11(15-8-16-12(10)19)14-7-13(3-4-13)20-6-2-5-18-20/h2,5-6,8-9H,3-4,7H2,1H3,(H,14,15,16).
What are the key properties of 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine?
9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine has a molecular weight of 269.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(1-pyrazol-1-ylcyclopropyl)methyl]purin-6-amine is sourced from PubChem (CID 136575184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).