6-(cyclopropylamino)-3-methylpyrimidin-4-one

C8H11N3O — CID 177195560

IUPAC6-(cyclopropylamino)-3-methylpyrimidin-4-one
SMILESCn1cnc(NC2CC2)cc1=O
InChIInChI=1S/C8H11N3O/c1-11-5-9-7(4-8(11)12)10-6-2-3-6/h4-6,10H,2-3H2,1H3
InChIKeyNJNOLHRWOLSNPS-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.35
Rot. Bonds2

About 6-(cyclopropylamino)-3-methylpyrimidin-4-one

6-(cyclopropylamino)-3-methylpyrimidin-4-one (PubChem CID 177195560) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-(cyclopropylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopropylamino)-3-methylpyrimidin-4-one
PubChem CID177195560
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-(cyclopropylamino)-3-methylpyrimidin-4-one
SMILESCn1cnc(NC2CC2)cc1=O
InChIInChI=1S/C8H11N3O/c1-11-5-9-7(4-8(11)12)10-6-2-3-6/h4-6,10H,2-3H2,1H3
InChIKeyNJNOLHRWOLSNPS-UHFFFAOYSA-N
XLogP0.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-cyclopropylamino-6-hydroxypyrimidine
CID 135509791
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957960
4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 137269684
4-(1,1,1-trifluoropropan-2-ylamino)-1H-pyrimidin-6-one
CID 137273196
6-[(2,2-Difluoropropyl)(methyl)amino]-3,4-dihydropyrimidin-4-one
CID 164653011
4-(cyclopropylamino)-1H-pyrimidin-6-one
CID 136006849
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 6-(cyclopropylamino)-3-methylpyrimidin-4-one (CID 177195560) is 6-(cyclopropylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(cyclopropylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(cyclopropylamino)-3-methylpyrimidin-4-one is Cn1cnc(NC2CC2)cc1=O.
What is the InChIKey of 6-(cyclopropylamino)-3-methylpyrimidin-4-one?
The InChIKey is NJNOLHRWOLSNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-5-9-7(4-8(11)12)10-6-2-3-6/h4-6,10H,2-3H2,1H3.
What are the key properties of 6-(cyclopropylamino)-3-methylpyrimidin-4-one?
6-(cyclopropylamino)-3-methylpyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 177195560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).