6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

C21H22ClN3O2 — CID 71465132

IUPAC6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3Cl)nc(C)n2)c1
InChIInChI=1S/C21H22ClN3O2/c1-13(15-7-5-8-16(11-15)26-3)23-20-12-18(24-14(2)25-20)17-9-6-10-19(27-4)21(17)22/h5-13H,1-4H3,(H,23,24,25)/t13-/m0/s1
InChIKeyNWYYGEIWRQYZHL-ZDUSSCGKSA-N
MW383.88 g/mol
LogP5.30
Rot. Bonds6

About 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 71465132) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID71465132
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3Cl)nc(C)n2)c1
InChIInChI=1S/C21H22ClN3O2/c1-13(15-7-5-8-16(11-15)26-3)23-20-12-18(24-14(2)25-20)17-9-6-10-19(27-4)21(17)22/h5-13H,1-4H3,(H,23,24,25)/t13-/m0/s1
InChIKeyNWYYGEIWRQYZHL-ZDUSSCGKSA-N
XLogP5.30
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine with MolForge

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Related Compounds

5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine
CID 448436
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 10287141
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 10309295
4-(2,4-Dichloro-5-Methoxyphenyl)-6-Methylpyrimidin-2-Amine
CID 52940058
1,4-Pentanediamine, N(sup 4)-(2-(2-(2,4-dichlorophenyl)ethenyl)-6-methoxy-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-
CID 6047191
6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11639470
2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11646256
(16E)-11-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739511
4-Chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine
CID 46914444
4-Chloro-6-(2,4-dichloro-5-methoxyphenyl)-2-pyrimidinamine
CID 46914445
5-(Aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 22220623
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3235320

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (CID 71465132) is 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is COc1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3Cl)nc(C)n2)c1.
What is the InChIKey of 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is NWYYGEIWRQYZHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-13(15-7-5-8-16(11-15)26-3)23-20-12-18(24-14(2)25-20)17-9-6-10-19(27-4)21(17)22/h5-13H,1-4H3,(H,23,24,25)/t13-/m0/s1.
What are the key properties of 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 383.88 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3-methoxyphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 71465132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).