N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide

C6H8N4O2 — CID 166684084

IUPACN-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide
SMILESCc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C6H8N4O2/c1-3-4(8-2-11)5(12)10-6(7)9-3/h2H,1H3,(H,8,11)(H3,7,9,10,12)
InChIKeyOUAVSNRXCHIBGO-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.77
Rot. Bonds2

About N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide

N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide (PubChem CID 166684084) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide
PubChem CID166684084
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide
SMILESCc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C6H8N4O2/c1-3-4(8-2-11)5(12)10-6(7)9-3/h2H,1H3,(H,8,11)(H3,7,9,10,12)
InChIKeyOUAVSNRXCHIBGO-UHFFFAOYSA-N
XLogP-0.77
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-hydroxy-6-(isobutylamino)-5-pyrimidinylformamide
CID 135403624
Formamide, N-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)-
CID 135463573
2,6-diamino-4-hydroxy-5-N-methylformamidopyrimidine
CID 135398708
N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)formamide
CID 333439
Pyrimidine, 2,5-diamino-3,4-dihydro-6-methylamino-4-oxo-
CID 135850747
2,5-Diamino-6-methylpyrimidin-4(1h)-one
CID 135491050
7,9-Dihydro-2-(methylamino)-1H-purine-6,8-dione
CID 135625294
n-(4-Amino-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)formamide
CID 245693
N-(2,5-diamino-6-oxo-1H-pyrimidin-4-yl)formamide
CID 136655839
N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135491051
N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide
CID 135500494
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)formamide
CID 11629665

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide?
The IUPAC name of N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide (CID 166684084) is N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide.
What is the SMILES notation for N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide?
The canonical SMILES for N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide is Cc1nc(N)[nH]c(=O)c1NC=O.
What is the InChIKey of N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide?
The InChIKey is OUAVSNRXCHIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-3-4(8-2-11)5(12)10-6(7)9-3/h2H,1H3,(H,8,11)(H3,7,9,10,12).
What are the key properties of N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide?
N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide has a molecular weight of 168.16 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)formamide is sourced from PubChem (CID 166684084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).