3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C7H10N4O2 — CID 136956112

IUPAC3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESNC(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N4O2/c8-5(12)1-2-9-6-3-7(13)11-4-10-6/h3-4H,1-2H2,(H2,8,12)(H2,9,10,11,13)
InChIKeyKTTNQXWYLLBHNL-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.94
Rot. Bonds4

About 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide

3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136956112) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136956112
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESNC(=O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N4O2/c8-5(12)1-2-9-6-3-7(13)11-4-10-6/h3-4H,1-2H2,(H2,8,12)(H2,9,10,11,13)
InChIKeyKTTNQXWYLLBHNL-UHFFFAOYSA-N
XLogP-0.94
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
CID 136979145
4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137153616
4-(3-fluoropropylamino)-1H-pyrimidin-6-one
CID 137270960
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
3-amino-N-(6-oxo-1H-pyrimidin-2-yl)propanamide
CID 141540263
6-Amino-1-(3-aminopropyl)pyrimidin-4-one
CID 82413278
3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136671881
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752202

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136956112) is 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide is NC(=O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is KTTNQXWYLLBHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-5(12)1-2-9-6-3-7(13)11-4-10-6/h3-4H,1-2H2,(H2,8,12)(H2,9,10,11,13).
What are the key properties of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 182.18 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136956112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).