6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

C23H23N5O — CID 112931098

IUPAC6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(OC(C)C)cc2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H23N5O/c1-15(2)29-19-11-9-18(10-12-19)26-21-14-16(3)25-23(28-21)27-20-8-4-6-17-7-5-13-24-22(17)20/h4-15H,1-3H3,(H2,25,26,27,28)
InChIKeyYDYXEJKVLNJVDN-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.61
Rot. Bonds6

About 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112931098) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112931098
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(OC(C)C)cc2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H23N5O/c1-15(2)29-19-11-9-18(10-12-19)26-21-14-16(3)25-23(28-21)27-20-8-4-6-17-7-5-13-24-22(17)20/h4-15H,1-3H3,(H2,25,26,27,28)
InChIKeyYDYXEJKVLNJVDN-UHFFFAOYSA-N
XLogP5.61
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905205
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046
4-N-(3-fluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931870
4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929729
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112927032
4-N-(2-methoxyphenyl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930435
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931777
2-N-(3-chlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929778
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918650
6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112925343

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112931098) is 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(OC(C)C)cc2)nc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is YDYXEJKVLNJVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15(2)29-19-11-9-18(10-12-19)26-21-14-16(3)25-23(28-21)27-20-8-4-6-17-7-5-13-24-22(17)20/h4-15H,1-3H3,(H2,25,26,27,28).
What are the key properties of 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 385.47 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112931098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).