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

C11H9Cl2N3O — CID 95473457

IUPAC6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Cl)c(-c2cc(N)ncn2)cc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-17-10-3-7(12)6(2-8(10)13)9-4-11(14)16-5-15-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyPJXTXNFSQKNRLQ-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.04
Rot. Bonds2

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

6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 95473457) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine
PubChem CID95473457
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Cl)c(-c2cc(N)ncn2)cc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-17-10-3-7(12)6(2-8(10)13)9-4-11(14)16-5-15-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyPJXTXNFSQKNRLQ-UHFFFAOYSA-N
XLogP3.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
CID 82300014
2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-7-amine
CID 135335466
2-(2,5-dichloro-4-methoxyphenyl)-1,3-thiazole
CID 116868419
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
6-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 50972207
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
4-chloro-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]benzene-1,3-diamine
CID 68910908
5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
3-(5-chloro-2-ethyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418518
[5-(2,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 96669361
4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine (CID 95473457) is 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine is COc1cc(Cl)c(-c2cc(N)ncn2)cc1Cl.
What is the InChIKey of 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is PJXTXNFSQKNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-17-10-3-7(12)6(2-8(10)13)9-4-11(14)16-5-15-9/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine?
6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 270.12 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 95473457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).