3-methyl-1-(7H-purin-6-ylamino)butan-2-ol

C10H15N5O — CID 5042339

IUPAC3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
SMILESCC(C)C(O)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H15N5O/c1-6(2)7(16)3-11-9-8-10(13-4-12-8)15-5-14-9/h4-7,16H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeySXYZQRSXQDQISN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.78
Rot. Bonds4

About 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol

3-methyl-1-(7H-purin-6-ylamino)butan-2-ol (PubChem CID 5042339) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
PubChem CID5042339
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
SMILESCC(C)C(O)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H15N5O/c1-6(2)7(16)3-11-9-8-10(13-4-12-8)15-5-14-9/h4-7,16H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeySXYZQRSXQDQISN-UHFFFAOYSA-N
XLogP0.78
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410
(7H-purin-6-ylamino)methanol
CID 86209273
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-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine
CID 133301517
(E)-2-propan-2-yl-4-(7H-purin-6-ylamino)but-2-en-1-ol
CID 10634231
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
CID 94432722
N-(7H-purin-6-yl)hydroxylamine
CID 21876
1-[4-[2-hydroxy-3-(7H-purin-6-ylamino)propoxy]phenyl]ethanone
CID 131713011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol (CID 5042339) is 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol is CC(C)C(O)CNc1ncnc2nc[nH]c12.
What is the InChIKey of 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol?
The InChIKey is SXYZQRSXQDQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(2)7(16)3-11-9-8-10(13-4-12-8)15-5-14-9/h4-7,16H,3H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol?
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol has a molecular weight of 221.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol is sourced from PubChem (CID 5042339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).