9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine

C13H15N7 — CID 136544668

IUPAC9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
SMILESCn1ccc(CNc2ncnc3c2ncn3C2CC2)n1
InChIInChI=1S/C13H15N7/c1-19-5-4-9(18-19)6-14-12-11-13(16-7-15-12)20(8-17-11)10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyQCFJLKWKWYONQO-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.51
Rot. Bonds4

About 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine

9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine (PubChem CID 136544668) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
PubChem CID136544668
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
SMILESCn1ccc(CNc2ncnc3c2ncn3C2CC2)n1
InChIInChI=1S/C13H15N7/c1-19-5-4-9(18-19)6-14-12-11-13(16-7-15-12)20(8-17-11)10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyQCFJLKWKWYONQO-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
CID 166246142
9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
CID 169041252
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
CID 163344743
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
9-cyclopropyl-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]purin-6-amine
CID 136544652
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106579096
N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063
3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
CID 155962940
4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 82873155
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine?
The IUPAC name of 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine (CID 136544668) is 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine.
What is the SMILES notation for 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine?
The canonical SMILES for 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine is Cn1ccc(CNc2ncnc3c2ncn3C2CC2)n1.
What is the InChIKey of 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine?
The InChIKey is QCFJLKWKWYONQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-19-5-4-9(18-19)6-14-12-11-13(16-7-15-12)20(8-17-11)10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,15,16).
What are the key properties of 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine?
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine has a molecular weight of 269.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine is sourced from PubChem (CID 136544668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).