4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one

C13H23N3O — CID 114217447

IUPAC4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one
SMILESCc1ccn(CCCCNCC(C)C)c(=O)n1
InChIInChI=1S/C13H23N3O/c1-11(2)10-14-7-4-5-8-16-9-6-12(3)15-13(16)17/h6,9,11,14H,4-5,7-8,10H2,1-3H3
InChIKeyCVEKCTDKJBUSAD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.58
Rot. Bonds7

About 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one

4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one (PubChem CID 114217447) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one
PubChem CID114217447
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one
SMILESCc1ccn(CCCCNCC(C)C)c(=O)n1
InChIInChI=1S/C13H23N3O/c1-11(2)10-14-7-4-5-8-16-9-6-12(3)15-13(16)17/h6,9,11,14H,4-5,7-8,10H2,1-3H3
InChIKeyCVEKCTDKJBUSAD-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dipropyl-1H-pyrimidin-3-ium-2-one
CID 69715484
1-Propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one
CID 121271032
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-[(2S)-2-methylbutyl]but-3-enamide
CID 121330083
4-(Aminomethyl)-1-propylpyrimidin-2-one
CID 143039118
4,6-Dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one
CID 62562050
1-[4-(Ethylamino)butyl]-4,6-dimethylpyrimidin-2-one
CID 62562051
1-[4-(Propylamino)butyl]pyrimidin-2-one
CID 62562762
1-[4-(Propan-2-ylamino)butyl]pyrimidin-2-one
CID 62562763
1-[4-(Tert-butylamino)butyl]pyrimidin-2-one
CID 62562939
1-[4-(2-Methylpropylamino)butyl]pyrimidin-2-one
CID 62562940
1-[3-(2-Methylpropylamino)propyl]pyrimidin-2-one
CID 62562943
1-[4-(Ethylamino)butyl]pyrimidin-2-one
CID 62562946

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one?
The IUPAC name of 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one (CID 114217447) is 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one is Cc1ccn(CCCCNCC(C)C)c(=O)n1.
What is the InChIKey of 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one?
The InChIKey is CVEKCTDKJBUSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)10-14-7-4-5-8-16-9-6-12(3)15-13(16)17/h6,9,11,14H,4-5,7-8,10H2,1-3H3.
What are the key properties of 4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one?
4-methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.58, 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-(2-methylpropylamino)butyl]pyrimidin-2-one is sourced from PubChem (CID 114217447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).