5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one

C7H10N4O2 — CID 57108759

IUPAC5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one
SMILESNCC(=O)CNc1cnc[nH]c1=O
InChIInChI=1S/C7H10N4O2/c8-1-5(12)2-10-6-3-9-4-11-7(6)13/h3-4,10H,1-2,8H2,(H,9,11,13)
InChIKeyGRTRBETUPZPJCS-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.29
Rot. Bonds4

About 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one

5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one (PubChem CID 57108759) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one
PubChem CID57108759
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one
SMILESNCC(=O)CNc1cnc[nH]c1=O
InChIInChI=1S/C7H10N4O2/c8-1-5(12)2-10-6-3-9-4-11-7(6)13/h3-4,10H,1-2,8H2,(H,9,11,13)
InChIKeyGRTRBETUPZPJCS-UHFFFAOYSA-N
XLogP-1.29
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one (CID 57108759) is 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one is NCC(=O)CNc1cnc[nH]c1=O.
What is the InChIKey of 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GRTRBETUPZPJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-1-5(12)2-10-6-3-9-4-11-7(6)13/h3-4,10H,1-2,8H2,(H,9,11,13).
What are the key properties of 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one?
5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 182.18 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-oxopropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 57108759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).