CID 136880491

C9H15N6O3 — CID 136880491

IUPAC—
SMILESCC(C)(C)N([O])N1c2c(nc(N)[nH]c2=O)NC1O
InChIInChI=1S/C9H15N6O3/c1-9(2,3)15(18)14-4-5(12-8(14)17)11-7(10)13-6(4)16/h8,17H,1-3H3,(H4,10,11,12,13,16)
InChIKeyOASYDTMHSJOETL-UHFFFAOYSA-N
MW255.26 g/mol
LogP-0.78
Rot. Bonds1

About CID 136880491

CID 136880491 (PubChem CID 136880491) has the molecular formula C9H15N6O3 and a molecular weight of 255.26 g/mol.

Molecular Properties

Compound NameCID 136880491
PubChem CID136880491
Molecular FormulaC9H15N6O3
Molecular Weight255.26 g/mol
Exact Mass255.12
IUPAC Name—
SMILESCC(C)(C)N([O])N1c2c(nc(N)[nH]c2=O)NC1O
InChIInChI=1S/C9H15N6O3/c1-9(2,3)15(18)14-4-5(12-8(14)17)11-7(10)13-6(4)16/h8,17H,1-3H3,(H4,10,11,12,13,16)
InChIKeyOASYDTMHSJOETL-UHFFFAOYSA-N
XLogP-0.78
TPSA130.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one
CID 136740661
2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 150908321
2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one
CID 163124560
2-amino-6-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136785640
2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione
CID 136818761
(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one
CID 135566759
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide
CID 136711734
2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135475516
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide
CID 137225021
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135452518
(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one
CID 135914671

Frequently Asked Questions

What is the IUPAC name of CID 136880491?
The IUPAC name of CID 136880491 (CID 136880491) is not available.
What is the SMILES notation for CID 136880491?
The canonical SMILES for CID 136880491 is CC(C)(C)N([O])N1c2c(nc(N)[nH]c2=O)NC1O.
What is the InChIKey of CID 136880491?
The InChIKey is OASYDTMHSJOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N6O3/c1-9(2,3)15(18)14-4-5(12-8(14)17)11-7(10)13-6(4)16/h8,17H,1-3H3,(H4,10,11,12,13,16).
What are the key properties of CID 136880491?
CID 136880491 has a molecular weight of 255.26 g/mol, XLogP of -0.78, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136880491 is sourced from PubChem (CID 136880491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).