2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one

C14H16ClN3O — CID 135459608

IUPAC2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H16ClN3O/c1-3-4-11-8-13(19)18-14(16-11)17-12-7-10(15)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyIEBBBJLQRZXXFY-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.43
Rot. Bonds4

About 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one

2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135459608) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135459608
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H16ClN3O/c1-3-4-11-8-13(19)18-14(16-11)17-12-7-10(15)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyIEBBBJLQRZXXFY-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
CID 136778628
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136778998
4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
CID 136779086
4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
2-(4-chloro-2-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779023
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135611342
2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135667332
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
CID 135443968
2-(4-chloro-2-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779020

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one (CID 135459608) is 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is IEBBBJLQRZXXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-4-11-8-13(19)18-14(16-11)17-12-7-10(15)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one?
2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 277.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).