2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine

C22H21N5O — CID 112918650

IUPAC2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(C)cc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C22H21N5O/c1-15-13-20(26-19-7-3-5-17-6-4-12-23-21(17)19)27-22(25-15)24-14-16-8-10-18(28-2)11-9-16/h3-13H,14H2,1-2H3,(H2,24,25,26,27)
InChIKeyQAJFQEPKFVHZQA-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.70
Rot. Bonds6

About 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine

2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112918650) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112918650
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(C)cc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C22H21N5O/c1-15-13-20(26-19-7-3-5-17-6-4-12-23-21(17)19)27-22(25-15)24-14-16-8-10-18(28-2)11-9-16/h3-13H,14H2,1-2H3,(H2,24,25,26,27)
InChIKeyQAJFQEPKFVHZQA-UHFFFAOYSA-N
XLogP4.70
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918596
4-N-[(4-chlorophenyl)methyl]-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918050
6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112925343
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112913095
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931098
4-N-(3-methoxypropyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112911848
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112954532
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112918669
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264
4-N-(3-methoxyphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916560
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112918650) is 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine is COc1ccc(CNc2nc(C)cc(Nc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is QAJFQEPKFVHZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-13-20(26-19-7-3-5-17-6-4-12-23-21(17)19)27-22(25-15)24-14-16-8-10-18(28-2)11-9-16/h3-13H,14H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 371.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).