6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine

C19H23N5 — CID 112925343

IUPAC6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3cccnc23)nc(NCCC(C)C)n1
InChIInChI=1S/C19H23N5/c1-13(2)9-11-21-19-22-14(3)12-17(24-19)23-16-8-4-6-15-7-5-10-20-18(15)16/h4-8,10,12-13H,9,11H2,1-3H3,(H2,21,22,23,24)
InChIKeyYECPGKBVLNBJNI-UHFFFAOYSA-N
MW321.43 g/mol
LogP4.53
Rot. Bonds6

About 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine

6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112925343) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112925343
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3cccnc23)nc(NCCC(C)C)n1
InChIInChI=1S/C19H23N5/c1-13(2)9-11-21-19-22-14(3)12-17(24-19)23-16-8-4-6-15-7-5-10-20-18(15)16/h4-8,10,12-13H,9,11H2,1-3H3,(H2,21,22,23,24)
InChIKeyYECPGKBVLNBJNI-UHFFFAOYSA-N
XLogP4.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112913095
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918650
4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925276
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046
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
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
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132
6-methyl-2-N-(3-methylbutyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112925268

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112925343) is 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc3cccnc23)nc(NCCC(C)C)n1.
What is the InChIKey of 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is YECPGKBVLNBJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-13(2)9-11-21-19-22-14(3)12-17(24-19)23-16-8-4-6-15-7-5-10-20-18(15)16/h4-8,10,12-13H,9,11H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 321.43 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).