9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine

C12H12N6S — CID 166246142

IUPAC9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
SMILESc1cc(CNc2ncnc3c2ncn3C2CC2)sn1
InChIInChI=1S/C12H12N6S/c1-2-8(1)18-7-16-10-11(14-6-15-12(10)18)13-5-9-3-4-17-19-9/h3-4,6-8H,1-2,5H2,(H,13,14,15)
InChIKeyKDUIUXAKKVUFNW-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.23
Rot. Bonds4

About 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine

9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine (PubChem CID 166246142) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
PubChem CID166246142
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
SMILESc1cc(CNc2ncnc3c2ncn3C2CC2)sn1
InChIInChI=1S/C12H12N6S/c1-2-8(1)18-7-16-10-11(14-6-15-12(10)18)13-5-9-3-4-17-19-9/h3-4,6-8H,1-2,5H2,(H,13,14,15)
InChIKeyKDUIUXAKKVUFNW-UHFFFAOYSA-N
XLogP2.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
CID 169041252
9-cyclopropyl-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]purin-6-amine
CID 136544652
N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063
9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
CID 163344743
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
CID 44591064
3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
CID 155962940
9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
CID 154829307
9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine
CID 146140725
N-[(3-bromophenyl)methyl]-9-(thiolan-2-yl)purin-6-amine
CID 141339963
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine?
The IUPAC name of 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine (CID 166246142) is 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine.
What is the SMILES notation for 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine?
The canonical SMILES for 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine is c1cc(CNc2ncnc3c2ncn3C2CC2)sn1.
What is the InChIKey of 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine?
The InChIKey is KDUIUXAKKVUFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-2-8(1)18-7-16-10-11(14-6-15-12(10)18)13-5-9-3-4-17-19-9/h3-4,6-8H,1-2,5H2,(H,13,14,15).
What are the key properties of 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine?
9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine has a molecular weight of 272.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine is sourced from PubChem (CID 166246142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).