2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine

C10H16N6 — CID 66109410

IUPAC2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
SMILESCC(CCN)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H16N6/c1-7(2-3-11)4-12-9-8-10(14-5-13-8)16-6-15-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15,16)
InChIKeyRPBJNSVVAVHGRG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.75
Rot. Bonds5

About 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine

2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine (PubChem CID 66109410) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
PubChem CID66109410
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
SMILESCC(CCN)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H16N6/c1-7(2-3-11)4-12-9-8-10(14-5-13-8)16-6-15-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15,16)
InChIKeyRPBJNSVVAVHGRG-UHFFFAOYSA-N
XLogP0.75
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine
CID 133301517
(7H-purin-6-ylamino)methanol
CID 86209273
(E)-2-propan-2-yl-4-(7H-purin-6-ylamino)but-2-en-1-ol
CID 10634231
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine (CID 66109410) is 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine is CC(CCN)CNc1ncnc2nc[nH]c12.
What is the InChIKey of 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine?
The InChIKey is RPBJNSVVAVHGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-7(2-3-11)4-12-9-8-10(14-5-13-8)16-6-15-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine?
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine is sourced from PubChem (CID 66109410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).