9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine

C11H15N5 — CID 3075659

IUPAC9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2CC1CC1
InChIInChI=1S/C11H15N5/c1-15(2)10-9-11(13-6-12-10)16(7-14-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3
InChIKeyVVEHPZBQBATSMK-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.30
Rot. Bonds3

About 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine

9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine (PubChem CID 3075659) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine
PubChem CID3075659
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2CC1CC1
InChIInChI=1S/C11H15N5/c1-15(2)10-9-11(13-6-12-10)16(7-14-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3
InChIKeyVVEHPZBQBATSMK-UHFFFAOYSA-N
XLogP1.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine?
The IUPAC name of 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine (CID 3075659) is 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine?
The canonical SMILES for 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine is CN(C)c1ncnc2c1ncn2CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine?
The InChIKey is VVEHPZBQBATSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-15(2)10-9-11(13-6-12-10)16(7-14-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine?
9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine has a molecular weight of 217.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 3075659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).