1-methyl-4-(propylamino)pyrimidin-2-one

C8H13N3O — CID 580548

IUPAC1-methyl-4-(propylamino)pyrimidin-2-one
SMILESCCCNc1ccn(C)c(=O)n1
InChIInChI=1S/C8H13N3O/c1-3-5-9-7-4-6-11(2)8(12)10-7/h4,6H,3,5H2,1-2H3,(H,9,10,12)
InChIKeyDYUXMPOSQTUEQR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.60
Rot. Bonds3

About 1-methyl-4-(propylamino)pyrimidin-2-one

1-methyl-4-(propylamino)pyrimidin-2-one (PubChem CID 580548) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-4-(propylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(propylamino)pyrimidin-2-one
PubChem CID580548
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-methyl-4-(propylamino)pyrimidin-2-one
SMILESCCCNc1ccn(C)c(=O)n1
InChIInChI=1S/C8H13N3O/c1-3-5-9-7-4-6-11(2)8(12)10-7/h4,6H,3,5H2,1-2H3,(H,9,10,12)
InChIKeyDYUXMPOSQTUEQR-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2(1H)-Pyrimidinone, 4-amino-1,N-dimethyl-
CID 138689
6-Amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium
CID 4469987
1-Propylcytosine
CID 309336
6-Amino-4-(butylamino)pyrimidin-2(1H)-one
CID 308584
4-(4-Aminobutylamino)-1-hydroxypyrimidin-2-one
CID 46891065
1-Methylcytosine hydrochloride
CID 69917829
pyrimidin-2(1H)-one, 4-ethylamino-1,5-dimethyl-
CID 129928238
N-(1-methyl-2-oxopyrimidin-4-yl)acetamide
CID 69022221
4-Amino-1-butylpyrimidin-2-one
CID 14102292
1-Methylcytosine hydroiodide
CID 129671163
1,4,6-Triazabicyclo[3.2.2]nona-2,5,8-trien-7-one
CID 136611180
1-Methyl-4-n-butylaminocytosine
CID 580715

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(propylamino)pyrimidin-2-one?
The IUPAC name of 1-methyl-4-(propylamino)pyrimidin-2-one (CID 580548) is 1-methyl-4-(propylamino)pyrimidin-2-one.
What is the SMILES notation for 1-methyl-4-(propylamino)pyrimidin-2-one?
The canonical SMILES for 1-methyl-4-(propylamino)pyrimidin-2-one is CCCNc1ccn(C)c(=O)n1.
What is the InChIKey of 1-methyl-4-(propylamino)pyrimidin-2-one?
The InChIKey is DYUXMPOSQTUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-5-9-7-4-6-11(2)8(12)10-7/h4,6H,3,5H2,1-2H3,(H,9,10,12).
What are the key properties of 1-methyl-4-(propylamino)pyrimidin-2-one?
1-methyl-4-(propylamino)pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propylamino)pyrimidin-2-one is sourced from PubChem (CID 580548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).