5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine

C20H20ClN3O — CID 144611754

IUPAC5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine
SMILESCc1ccc(Oc2ccc(CCNc3ncnc(C)c3Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O/c1-14-3-7-17(8-4-14)25-18-9-5-16(6-10-18)11-12-22-20-19(21)15(2)23-13-24-20/h3-10,13H,11-12H2,1-2H3,(H,22,23,24)
InChIKeyQNLGEYZHULLYEE-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.19
Rot. Bonds6

About 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine

5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 144611754) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine
PubChem CID144611754
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine
SMILESCc1ccc(Oc2ccc(CCNc3ncnc(C)c3Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O/c1-14-3-7-17(8-4-14)25-18-9-5-16(6-10-18)11-12-22-20-19(21)15(2)23-13-24-20/h3-10,13H,11-12H2,1-2H3,(H,22,23,24)
InChIKeyQNLGEYZHULLYEE-UHFFFAOYSA-N
XLogP5.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-[4-(3-chloro-5-methylphenoxy)phenyl]ethyl]-6-ethylpyrimidin-4-amine
CID 118344893
5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine
CID 158304538
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methylpyrimidin-4-amine;hydrochloride
CID 74220633
5-chloro-6-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982854
5-chloro-6-(1-fluoroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982877
5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
CID 11079009
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131355
6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
CID 23490003
5,6-dichloro-N-[2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131350
5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine
CID 90131265
5,6-dimethyl-N-[2-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]pyrimidin-4-amine
CID 155471346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine (CID 144611754) is 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine is Cc1ccc(Oc2ccc(CCNc3ncnc(C)c3Cl)cc2)cc1.
What is the InChIKey of 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is QNLGEYZHULLYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-3-7-17(8-4-14)25-18-9-5-16(6-10-18)11-12-22-20-19(21)15(2)23-13-24-20/h3-10,13H,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine?
5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 353.85 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 144611754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).