4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine

C17H12Cl3N3O — CID 46914728

IUPAC4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(-c2cc(OCc3ccccc3)c(Cl)cc2Cl)n1
InChIInChI=1S/C17H12Cl3N3O/c18-12-7-13(19)15(24-9-10-4-2-1-3-5-10)6-11(12)14-8-16(20)23-17(21)22-14/h1-8H,9H2,(H2,21,22,23)
InChIKeyHKEMLGVTDDPMQX-UHFFFAOYSA-N
MW380.66 g/mol
LogP5.26
Rot. Bonds4

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

4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine (PubChem CID 46914728) has the molecular formula C17H12Cl3N3O and a molecular weight of 380.66 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine
PubChem CID46914728
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Name4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(-c2cc(OCc3ccccc3)c(Cl)cc2Cl)n1
InChIInChI=1S/C17H12Cl3N3O/c18-12-7-13(19)15(24-9-10-4-2-1-3-5-10)6-11(12)14-8-16(20)23-17(21)22-14/h1-8H,9H2,(H2,21,22,23)
InChIKeyHKEMLGVTDDPMQX-UHFFFAOYSA-N
XLogP5.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine (CID 46914728) is 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine is Nc1nc(Cl)cc(-c2cc(OCc3ccccc3)c(Cl)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine?
The InChIKey is HKEMLGVTDDPMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O/c18-12-7-13(19)15(24-9-10-4-2-1-3-5-10)6-11(12)14-8-16(20)23-17(21)22-14/h1-8H,9H2,(H2,21,22,23).
What are the key properties of 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine?
4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine has a molecular weight of 380.66 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dichloro-5-phenylmethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46914728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).