1,2,5,6-tetrahydropyrimidine-5-carboxamide

C5H9N3O — CID 69182648

IUPAC1,2,5,6-tetrahydropyrimidine-5-carboxamide
SMILESNC(=O)C1C=NCNC1
InChIInChI=1S/C5H9N3O/c6-5(9)4-1-7-3-8-2-4/h1,4,8H,2-3H2,(H2,6,9)
InChIKeyLAYNJPLUUYDRKQ-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.28
Rot. Bonds1

About 1,2,5,6-tetrahydropyrimidine-5-carboxamide

1,2,5,6-tetrahydropyrimidine-5-carboxamide (PubChem CID 69182648) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1,2,5,6-tetrahydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,2,5,6-tetrahydropyrimidine-5-carboxamide
PubChem CID69182648
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1,2,5,6-tetrahydropyrimidine-5-carboxamide
SMILESNC(=O)C1C=NCNC1
InChIInChI=1S/C5H9N3O/c6-5(9)4-1-7-3-8-2-4/h1,4,8H,2-3H2,(H2,6,9)
InChIKeyLAYNJPLUUYDRKQ-UHFFFAOYSA-N
XLogP-1.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetrahydropyrimidine-5-carboxamide?
The IUPAC name of 1,2,5,6-tetrahydropyrimidine-5-carboxamide (CID 69182648) is 1,2,5,6-tetrahydropyrimidine-5-carboxamide.
What is the SMILES notation for 1,2,5,6-tetrahydropyrimidine-5-carboxamide?
The canonical SMILES for 1,2,5,6-tetrahydropyrimidine-5-carboxamide is NC(=O)C1C=NCNC1.
What is the InChIKey of 1,2,5,6-tetrahydropyrimidine-5-carboxamide?
The InChIKey is LAYNJPLUUYDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-5(9)4-1-7-3-8-2-4/h1,4,8H,2-3H2,(H2,6,9).
What are the key properties of 1,2,5,6-tetrahydropyrimidine-5-carboxamide?
1,2,5,6-tetrahydropyrimidine-5-carboxamide has a molecular weight of 127.15 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetrahydropyrimidine-5-carboxamide is sourced from PubChem (CID 69182648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).