4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine

C12H11Cl2N3O — CID 52940058

IUPAC4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(-c2cc(C)nc(N)n2)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-6-3-10(17-12(15)16-6)7-4-11(18-2)9(14)5-8(7)13/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyKYSQWARAEPTJAQ-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.35
Rot. Bonds2

About 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine

4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 52940058) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
PubChem CID52940058
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(-c2cc(C)nc(N)n2)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-6-3-10(17-12(15)16-6)7-4-11(18-2)9(14)5-8(7)13/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyKYSQWARAEPTJAQ-UHFFFAOYSA-N
XLogP3.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 10287141
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
4-Chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 46861553
4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161
4-(2-Chloro-6-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 11957092
20,22-Dichloro-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8,10,12(24),19,21-nonaen-4-amine
CID 25176884
4-Chloro-6-(2-chloro-6-methoxyphenyl)pyrimidin-2-amine
CID 46914442
4-Chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine
CID 46914444
4-Chloro-6-(2,4-dichloro-5-methoxyphenyl)-2-pyrimidinamine
CID 46914445
4-Chloro-6-(2-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 46914446
4-[2,4-Dichloro-6-(4,4,4-trifluoro-butoxy)-phenyl]-6-methyl-pyrimidin-2-ylamine
CID 53239287
5-chloro-4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 54587439

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine (CID 52940058) is 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine is COc1cc(-c2cc(C)nc(N)n2)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is KYSQWARAEPTJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-6-3-10(17-12(15)16-6)7-4-11(18-2)9(14)5-8(7)13/h3-5H,1-2H3,(H2,15,16,17).
What are the key properties of 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine?
4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 284.15 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 52940058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).