2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

C19H18Cl2N4O — CID 112918282

IUPAC2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1cc(C)nc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H18Cl2N4O/c1-12-10-17(22-11-13-6-3-4-9-16(13)26-2)24-19(23-12)25-18-14(20)7-5-8-15(18)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25)
InChIKeySFTMJFTZYSRACS-UHFFFAOYSA-N
MW389.29 g/mol
LogP5.46
Rot. Bonds6

About 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112918282) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112918282
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1cc(C)nc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H18Cl2N4O/c1-12-10-17(22-11-13-6-3-4-9-16(13)26-2)24-19(23-12)25-18-14(20)7-5-8-15(18)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25)
InChIKeySFTMJFTZYSRACS-UHFFFAOYSA-N
XLogP5.46
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
2-N-(3,4-dimethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918255
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918230
2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807
4-N-(2,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918405
2-N-[(2-methoxyphenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916343
methyl 3-[[4-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112918264
4-N-(5-chloro-2-methoxyphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918369
2-N-(5-chloro-2-methoxyphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917276
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 103293691
2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917319
4-N-(2-chlorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921067

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112918282) is 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is COc1ccccc1CNc1cc(C)nc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is SFTMJFTZYSRACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-12-10-17(22-11-13-6-3-4-9-16(13)26-2)24-19(23-12)25-18-14(20)7-5-8-15(18)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 389.29 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).