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

C11H9Cl2N3O — CID 10849619

IUPAC4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C11H9Cl2N3O/c1-17-8-4-2-7(3-5-8)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H,14,15,16)
InChIKeyPECXBVRBVFBWOE-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.54
Rot. Bonds3

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

4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 10849619) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID10849619
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C11H9Cl2N3O/c1-17-8-4-2-7(3-5-8)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H,14,15,16)
InChIKeyPECXBVRBVFBWOE-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 88571005
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 86045530
4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 88570930
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90894993
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175
4-N-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine (CID 10849619) is 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is PECXBVRBVFBWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-17-8-4-2-7(3-5-8)14-11-15-9(12)6-10(13)16-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine?
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 270.12 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 10849619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).