1,2,3,4-tetrahydropyrimidine-5-carboxamide

C5H9N3O — CID 69070947

IUPAC1,2,3,4-tetrahydropyrimidine-5-carboxamide
SMILESNC(=O)C1=CNCNC1
InChIInChI=1S/C5H9N3O/c6-5(9)4-1-7-3-8-2-4/h1,7-8H,2-3H2,(H2,6,9)
InChIKeyIVDGLQIWZICGFV-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.49
Rot. Bonds1

About 1,2,3,4-tetrahydropyrimidine-5-carboxamide

1,2,3,4-tetrahydropyrimidine-5-carboxamide (PubChem CID 69070947) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrimidine-5-carboxamide
PubChem CID69070947
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1,2,3,4-tetrahydropyrimidine-5-carboxamide
SMILESNC(=O)C1=CNCNC1
InChIInChI=1S/C5H9N3O/c6-5(9)4-1-7-3-8-2-4/h1,7-8H,2-3H2,(H2,6,9)
InChIKeyIVDGLQIWZICGFV-UHFFFAOYSA-N
XLogP-1.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)pyrimidine-2,4-diol hydrochloride
CID 54595486
5-(Aminomethyl)pyrimidine-2,4(1H,3H)-dione
CID 15218502
5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 408478
5-Dimethylaminomethyl-2-thiouracil
CID 12059298
AC1NT09P
CID 5373490
5-(aminomethyl)-1-methylpyrimidine-2,4(1H,3H)-dione hydrochloride
CID 119106466
5-Aminocarbonyl-uracil
CID 12121064
Deoxythymine
CID 20306902
2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbamide
CID 45084148
2-Thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 129766687
1,2,3,4-Tetrahydropyrimidine-5-carbohydrazide
CID 145514432
5-Dimethylaminomethyluracil Hydrochloride
CID 12267435

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The IUPAC name of 1,2,3,4-tetrahydropyrimidine-5-carboxamide (CID 69070947) is 1,2,3,4-tetrahydropyrimidine-5-carboxamide.
What is the SMILES notation for 1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The canonical SMILES for 1,2,3,4-tetrahydropyrimidine-5-carboxamide is NC(=O)C1=CNCNC1.
What is the InChIKey of 1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The InChIKey is IVDGLQIWZICGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-5(9)4-1-7-3-8-2-4/h1,7-8H,2-3H2,(H2,6,9).
What are the key properties of 1,2,3,4-tetrahydropyrimidine-5-carboxamide?
1,2,3,4-tetrahydropyrimidine-5-carboxamide has a molecular weight of 127.15 g/mol, XLogP of -1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrimidine-5-carboxamide is sourced from PubChem (CID 69070947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).