2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide

C10H8N6O2 — CID 67767693

IUPAC2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2nccc(C(N)=O)n2)n1
InChIInChI=1S/C10H8N6O2/c11-7(17)5-1-3-13-9(15-5)10-14-4-2-6(16-10)8(12)18/h1-4H,(H2,11,17)(H2,12,18)
InChIKeyRQDRFJQBNSBCON-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.87
Rot. Bonds3

About 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide

2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide (PubChem CID 67767693) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide
PubChem CID67767693
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2nccc(C(N)=O)n2)n1
InChIInChI=1S/C10H8N6O2/c11-7(17)5-1-3-13-9(15-5)10-14-4-2-6(16-10)8(12)18/h1-4H,(H2,11,17)(H2,12,18)
InChIKeyRQDRFJQBNSBCON-UHFFFAOYSA-N
XLogP-0.87
TPSA137.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide (CID 67767693) is 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide is NC(=O)c1ccnc(-c2nccc(C(N)=O)n2)n1.
What is the InChIKey of 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide?
The InChIKey is RQDRFJQBNSBCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c11-7(17)5-1-3-13-9(15-5)10-14-4-2-6(16-10)8(12)18/h1-4H,(H2,11,17)(H2,12,18).
What are the key properties of 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide?
2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide has a molecular weight of 244.21 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpyrimidin-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 67767693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).