2-(methylamino)pyrimidine-5-carboxamide

C6H8N4O — CID 69179728

IUPAC2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(N)=O)cn1
InChIInChI=1S/C6H8N4O/c1-8-6-9-2-4(3-10-6)5(7)11/h2-3H,1H3,(H2,7,11)(H,8,9,10)
InChIKeyPYEQYEIBJUGGNB-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.38
Rot. Bonds2

About 2-(methylamino)pyrimidine-5-carboxamide

2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 69179728) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(methylamino)pyrimidine-5-carboxamide
PubChem CID69179728
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(N)=O)cn1
InChIInChI=1S/C6H8N4O/c1-8-6-9-2-4(3-10-6)5(7)11/h2-3H,1H3,(H2,7,11)(H,8,9,10)
InChIKeyPYEQYEIBJUGGNB-UHFFFAOYSA-N
XLogP-0.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(methylamino)pyrimidine-5-carboxamide (CID 69179728) is 2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(methylamino)pyrimidine-5-carboxamide is CNc1ncc(C(N)=O)cn1.
What is the InChIKey of 2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is PYEQYEIBJUGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-8-6-9-2-4(3-10-6)5(7)11/h2-3H,1H3,(H2,7,11)(H,8,9,10).
What are the key properties of 2-(methylamino)pyrimidine-5-carboxamide?
2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 152.16 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 69179728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).