6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine

C18H15Cl2N3O — CID 134116375

IUPAC6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1ccc(CNc2cc(OCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C18H15Cl2N3O/c19-15-5-1-13(2-6-15)10-21-17-9-18(23-12-22-17)24-11-14-3-7-16(20)8-4-14/h1-9,12H,10-11H2,(H,21,22,23)
InChIKeyHXORWJDWGYXLRK-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.97
Rot. Bonds6

About 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine

6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine (PubChem CID 134116375) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
PubChem CID134116375
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1ccc(CNc2cc(OCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C18H15Cl2N3O/c19-15-5-1-13(2-6-15)10-21-17-9-18(23-12-22-17)24-11-14-3-7-16(20)8-4-14/h1-9,12H,10-11H2,(H,21,22,23)
InChIKeyHXORWJDWGYXLRK-UHFFFAOYSA-N
XLogP4.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327229
6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 126471056
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 61252594
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine (CID 134116375) is 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine is Clc1ccc(CNc2cc(OCc3ccc(Cl)cc3)ncn2)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is HXORWJDWGYXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c19-15-5-1-13(2-6-15)10-21-17-9-18(23-12-22-17)24-11-14-3-7-16(20)8-4-14/h1-9,12H,10-11H2,(H,21,22,23).
What are the key properties of 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine?
6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 360.24 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 134116375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).