6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine

C21H22ClN3O2 — CID 59548404

IUPAC6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)nc(C)n2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-15-23-20(22)12-21(24-15)25(13-16-4-8-18(26-2)9-5-16)14-17-6-10-19(27-3)11-7-17/h4-12H,13-14H2,1-3H3
InChIKeyINAZVFAEGNVQJO-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.66
Rot. Bonds7

About 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine

6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 59548404) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID59548404
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)nc(C)n2)cc1
InChIInChI=1S/C21H22ClN3O2/c1-15-23-20(22)12-21(24-15)25(13-16-4-8-18(26-2)9-5-16)14-17-6-10-19(27-3)11-7-17/h4-12H,13-14H2,1-3H3
InChIKeyINAZVFAEGNVQJO-UHFFFAOYSA-N
XLogP4.66
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548209
4-[[(6-chloro-2-methylpyrimidin-4-yl)-propylamino]methyl]benzonitrile
CID 133384001
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide
CID 133384313
6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 172607469
4-N,6-N-bis(6-chloropyrimidin-4-yl)-4-N,6-N-bis[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 46177482
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
CID 170594396
CID 170594396
6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine
CID 55079871
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 62481923

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine (CID 59548404) is 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)nc(C)n2)cc1.
What is the InChIKey of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is INAZVFAEGNVQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-15-23-20(22)12-21(24-15)25(13-16-4-8-18(26-2)9-5-16)14-17-6-10-19(27-3)11-7-17/h4-12H,13-14H2,1-3H3.
What are the key properties of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 383.88 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 59548404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).