9-cyclopropyl-N-(3-methylbutyl)purin-6-amine

C13H19N5 — CID 169041252

IUPAC9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
SMILESCC(C)CCNc1ncnc2c1ncn2C1CC1
InChIInChI=1S/C13H19N5/c1-9(2)5-6-14-12-11-13(16-7-15-12)18(8-17-11)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeySYQOSYKVRZXWDH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.62
Rot. Bonds5

About 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine

9-cyclopropyl-N-(3-methylbutyl)purin-6-amine (PubChem CID 169041252) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
PubChem CID169041252
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
SMILESCC(C)CCNc1ncnc2c1ncn2C1CC1
InChIInChI=1S/C13H19N5/c1-9(2)5-6-14-12-11-13(16-7-15-12)18(8-17-11)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeySYQOSYKVRZXWDH-UHFFFAOYSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
CID 166246142
N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
CID 44591064
9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine
CID 146140725
9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
CID 163344743
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]oxane-3,4,5-triol
CID 11545443
9-cyclopropyl-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]purin-6-amine
CID 136544652
9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
CID 154829307
3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
CID 155962940
N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine
CID 154829347
2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 136544645

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine?
The IUPAC name of 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine (CID 169041252) is 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine.
What is the SMILES notation for 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine?
The canonical SMILES for 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine is CC(C)CCNc1ncnc2c1ncn2C1CC1.
What is the InChIKey of 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine?
The InChIKey is SYQOSYKVRZXWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)5-6-14-12-11-13(16-7-15-12)18(8-17-11)10-3-4-10/h7-10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine?
9-cyclopropyl-N-(3-methylbutyl)purin-6-amine has a molecular weight of 245.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-(3-methylbutyl)purin-6-amine is sourced from PubChem (CID 169041252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).