6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine

C17H14ClN3O — CID 130156888

IUPAC6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
SMILESClc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1
InChIInChI=1S/C17H14ClN3O/c18-16-10-17(20-12-19-16)21-14-6-8-15(9-7-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,19,20,21)
InChIKeyKGZHEFDQMHKYEO-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.45
Rot. Bonds5

About 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine

6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine (PubChem CID 130156888) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
PubChem CID130156888
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
SMILESClc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1
InChIInChI=1S/C17H14ClN3O/c18-16-10-17(20-12-19-16)21-14-6-8-15(9-7-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,19,20,21)
InChIKeyKGZHEFDQMHKYEO-UHFFFAOYSA-N
XLogP4.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854646
4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112863831
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 86753852
4-N-butan-2-yl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112855599
6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 130156889
4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
CID 22496155
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine (CID 130156888) is 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine is Clc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1.
What is the InChIKey of 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine?
The InChIKey is KGZHEFDQMHKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-16-10-17(20-12-19-16)21-14-6-8-15(9-7-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,19,20,21).
What are the key properties of 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine?
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine has a molecular weight of 311.77 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 130156888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).