6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one

C9H13N5O — CID 174749174

IUPAC6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one
SMILESCC(C)C(N)c1[nH]c(=O)nc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-4(2)5(10)6-7-8(12-3-11-7)14-9(15)13-6/h3-5H,10H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyYWEKEAZFKCIWAN-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.30
Rot. Bonds2

About 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one

6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one (PubChem CID 174749174) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one
PubChem CID174749174
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one
SMILESCC(C)C(N)c1[nH]c(=O)nc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-4(2)5(10)6-7-8(12-3-11-7)14-9(15)13-6/h3-5H,10H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyYWEKEAZFKCIWAN-UHFFFAOYSA-N
XLogP0.30
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Methylpent-3-enyl)-1,7-dihydropurin-2-one
CID 10921968
6-tert-butyl-9-methyl-1H-purin-2-one
CID 20750407
6-Tert-butyl-1,7-dihydropurin-2-one
CID 58111412
4-Amino-6,7-dimethyl-1,5,6,7-tetrahydropyrrolo[3,2-d]pyrimidin-2-one
CID 68242355
6-Ethyl-1,7-dihydropurin-2-one
CID 88984453
6-ethyl-9-methyl-1H-purin-2-one
CID 89317469
8-Amino-6-cyclopropyl-1,7-dihydropurin-2-one
CID 150798826
9-methyl-6-propan-2-yl-1H-purin-2-one
CID 152799975
6-Butan-2-yl-1,7-dihydropurin-2-one
CID 164142678
4-(2-Methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3610643

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one?
The IUPAC name of 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one (CID 174749174) is 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one?
The canonical SMILES for 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one is CC(C)C(N)c1[nH]c(=O)nc2nc[nH]c12.
What is the InChIKey of 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one?
The InChIKey is YWEKEAZFKCIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-4(2)5(10)6-7-8(12-3-11-7)14-9(15)13-6/h3-5H,10H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one?
6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one has a molecular weight of 207.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-methylpropyl)-1,7-dihydropurin-2-one is sourced from PubChem (CID 174749174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).