6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

C20H22ClN5O — CID 22539256

IUPAC6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCN(c1cccc(C)c1)c1ncnc(Nc2cc(Cl)ccc2OC)c1N
InChIInChI=1S/C20H22ClN5O/c1-4-26(15-7-5-6-13(2)10-15)20-18(22)19(23-12-24-20)25-16-11-14(21)8-9-17(16)27-3/h5-12H,4,22H2,1-3H3,(H,23,24,25)
InChIKeyVLSJBPQXXUQOPT-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.93
Rot. Bonds6

About 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22539256) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22539256
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCN(c1cccc(C)c1)c1ncnc(Nc2cc(Cl)ccc2OC)c1N
InChIInChI=1S/C20H22ClN5O/c1-4-26(15-7-5-6-13(2)10-15)20-18(22)19(23-12-24-20)25-16-11-14(21)8-9-17(16)27-3/h5-12H,4,22H2,1-3H3,(H,23,24,25)
InChIKeyVLSJBPQXXUQOPT-UHFFFAOYSA-N
XLogP4.93
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477672
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
dimethyl 5-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22539264
6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539410
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539411
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966974
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 22539256) is 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is CCN(c1cccc(C)c1)c1ncnc(Nc2cc(Cl)ccc2OC)c1N.
What is the InChIKey of 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is VLSJBPQXXUQOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-4-26(15-7-5-6-13(2)10-15)20-18(22)19(23-12-24-20)25-16-11-14(21)8-9-17(16)27-3/h5-12H,4,22H2,1-3H3,(H,23,24,25).
What are the key properties of 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 383.88 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).