2-methyl-1,4-dihydropyrimidine-5-carboxamide

C6H9N3O — CID 123440745

IUPAC2-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=NCC(C(N)=O)=CN1
InChIInChI=1S/C6H9N3O/c1-4-8-2-5(3-9-4)6(7)10/h2H,3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyXVORQGDROPJBPB-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.62
Rot. Bonds1

About 2-methyl-1,4-dihydropyrimidine-5-carboxamide

2-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 123440745) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID123440745
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=NCC(C(N)=O)=CN1
InChIInChI=1S/C6H9N3O/c1-4-8-2-5(3-9-4)6(7)10/h2H,3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyXVORQGDROPJBPB-UHFFFAOYSA-N
XLogP-0.62
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
1,4-Dihydropyrimidine-5-carboxamide
CID 13586545
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
1,2,5-Trimethylpyrimidin-4-one
CID 85832875
1,4-Dihydropyrimidine-5-carboxamide;hydrochloride
CID 90101643
1-(2-Methyl-1,4-dihydropyrimidin-5-yl)ethanone
CID 90191353
5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one
CID 90220663
2-Methyl-1,4-dihydropyrimidine-5-carbaldehyde
CID 123423409
5-(Aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)
CID 145471989
1-methyl-4H-pyrimidine-5-carboxamide
CID 156899043
5-(Aminomethyl)-2-ethyl-4(3H)-pyrimidinone
CID 33741805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 123440745) is 2-methyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-1,4-dihydropyrimidine-5-carboxamide is CC1=NCC(C(N)=O)=CN1.
What is the InChIKey of 2-methyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is XVORQGDROPJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-8-2-5(3-9-4)6(7)10/h2H,3H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 2-methyl-1,4-dihydropyrimidine-5-carboxamide?
2-methyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 139.16 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 123440745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).