4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one

C13H23N3O — CID 114217379

IUPAC4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one
SMILESCCCNC(C)CCCn1ccc(C)nc1=O
InChIInChI=1S/C13H23N3O/c1-4-8-14-11(2)6-5-9-16-10-7-12(3)15-13(16)17/h7,10-11,14H,4-6,8-9H2,1-3H3
InChIKeyFNLJMCBWSHCIMI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds7

About 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one

4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one (PubChem CID 114217379) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one
PubChem CID114217379
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one
SMILESCCCNC(C)CCCn1ccc(C)nc1=O
InChIInChI=1S/C13H23N3O/c1-4-8-14-11(2)6-5-9-16-10-7-12(3)15-13(16)17/h7,10-11,14H,4-6,8-9H2,1-3H3
InChIKeyFNLJMCBWSHCIMI-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dipropyl-1H-pyrimidin-3-ium-2-one chloride
CID 69715483
3,4-dipropyl-1H-pyrimidin-3-ium-2-one
CID 69715484
4-Methyl-1-pentylpyrimidin-2-one
CID 91215679
1-Isopropyl-4-(pyrrolidin-3-yl)pyrimidin-2(1h)-one hydrochloride
CID 121271031
1-Propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one
CID 121271032
4-(Aminomethyl)-1-propylpyrimidin-2-one
CID 143039118
1-(1-Aminopentan-3-yl)-4,6-dimethylpyrimidin-2-one
CID 43428358
1-(5-Aminopentyl)-4,6-dimethylpyrimidin-2-one
CID 61524722
1-[3-(Propylamino)butyl]pyrimidin-2-one
CID 61752174
1-[3-(Ethylamino)butyl]pyrimidin-2-one
CID 61752756
1-[4-(Propylamino)pentyl]pyrimidin-2-one
CID 61942235
1-(4-Aminopentyl)pyrimidin-2-one
CID 61942236

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one?
The IUPAC name of 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one (CID 114217379) is 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one is CCCNC(C)CCCn1ccc(C)nc1=O.
What is the InChIKey of 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one?
The InChIKey is FNLJMCBWSHCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-8-14-11(2)6-5-9-16-10-7-12(3)15-13(16)17/h7,10-11,14H,4-6,8-9H2,1-3H3.
What are the key properties of 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one?
4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one is sourced from PubChem (CID 114217379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).