2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one

C11H11ClN4O — CID 135408588

IUPAC2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one
SMILESCc1ccc(Nc2cc(=O)[nH]c(N)n2)cc1Cl
InChIInChI=1S/C11H11ClN4O/c1-6-2-3-7(4-8(6)12)14-9-5-10(17)16-11(13)15-9/h2-5H,1H3,(H4,13,14,15,16,17)
InChIKeyVJVOAOJDSCKCJY-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.06
Rot. Bonds2

About 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one

2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one (PubChem CID 135408588) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one
PubChem CID135408588
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one
SMILESCc1ccc(Nc2cc(=O)[nH]c(N)n2)cc1Cl
InChIInChI=1S/C11H11ClN4O/c1-6-2-3-7(4-8(6)12)14-9-5-10(17)16-11(13)15-9/h2-5H,1H3,(H4,13,14,15,16,17)
InChIKeyVJVOAOJDSCKCJY-UHFFFAOYSA-N
XLogP2.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-4-acetotoluidide
CID 23537
Cloguanamil
CID 30760
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
1-(3-Chloro-para-tolyl)-urea
CID 25741
1-(3-Chloro-4-methylphenyl)-3-phenylurea
CID 295134
6-(3-chloro-4-methylanilino)-1H-pyrimidine-2,4-dione
CID 775022
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 135433174
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
1-(3-Chloro-4-methylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44531613
2-amino-6-(3,4-dichloroanilino)-1H-pyrimidin-4-one
CID 135400927
2-amino-6-(2-chloroanilino)-1H-pyrimidin-4-one
CID 135408518

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one (CID 135408588) is 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one is Cc1ccc(Nc2cc(=O)[nH]c(N)n2)cc1Cl.
What is the InChIKey of 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is VJVOAOJDSCKCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-6-2-3-7(4-8(6)12)14-9-5-10(17)16-11(13)15-9/h2-5H,1H3,(H4,13,14,15,16,17).
What are the key properties of 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one?
2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 250.69 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-4-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).