4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide

C8H12N4O — CID 86181001

IUPAC4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1nc(C)c(C(N)=O)c(C)n1
InChIInChI=1S/C8H12N4O/c1-4-6(7(9)13)5(2)12-8(10-3)11-4/h1-3H3,(H2,9,13)(H,10,11,12)
InChIKeyHCGATCBRKZNSAD-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.23
Rot. Bonds2

About 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide

4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 86181001) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID86181001
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1nc(C)c(C(N)=O)c(C)n1
InChIInChI=1S/C8H12N4O/c1-4-6(7(9)13)5(2)12-8(10-3)11-4/h1-3H3,(H2,9,13)(H,10,11,12)
InChIKeyHCGATCBRKZNSAD-UHFFFAOYSA-N
XLogP0.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide (CID 86181001) is 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide is CNc1nc(C)c(C(N)=O)c(C)n1.
What is the InChIKey of 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is HCGATCBRKZNSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-4-6(7(9)13)5(2)12-8(10-3)11-4/h1-3H3,(H2,9,13)(H,10,11,12).
What are the key properties of 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide?
4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 86181001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).