2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide

C6H12N4O — CID 45084427

IUPAC2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide
SMILESCNC(=O)C1CN=C(N)NC1
InChIInChI=1S/C6H12N4O/c1-8-5(11)4-2-9-6(7)10-3-4/h4H,2-3H2,1H3,(H,8,11)(H3,7,9,10)
InChIKeyMREUJXJOFZFTKB-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.73
Rot. Bonds1

About 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide

2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide (PubChem CID 45084427) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide
PubChem CID45084427
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide
SMILESCNC(=O)C1CN=C(N)NC1
InChIInChI=1S/C6H12N4O/c1-8-5(11)4-2-9-6(7)10-3-4/h4H,2-3H2,1H3,(H,8,11)(H3,7,9,10)
InChIKeyMREUJXJOFZFTKB-UHFFFAOYSA-N
XLogP-1.73
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 170579335
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(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
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4-N-methylcyclohexane-1,4-dicarboxamide
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N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
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ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
3-fluoro-N-methylcyclobutane-1-carboxamide
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3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754
N-methyl-3,6-dioxopiperazine-2-carboxamide
CID 53437738
1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198582
N-methyl-1,4-oxazepane-6-carboxamide
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(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide
CID 96839594

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide (CID 45084427) is 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide is CNC(=O)C1CN=C(N)NC1.
What is the InChIKey of 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide?
The InChIKey is MREUJXJOFZFTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-8-5(11)4-2-9-6(7)10-3-4/h4H,2-3H2,1H3,(H,8,11)(H3,7,9,10).
What are the key properties of 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide?
2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-1,4,5,6-tetrahydropyrimidine-5-carboxamide is sourced from PubChem (CID 45084427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).