N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine

C17H18N4 — CID 81227945

IUPACN-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine
SMILESCNc1ncnc(-c2cccc3ncccc23)c1C(C)C
InChIInChI=1S/C17H18N4/c1-11(2)15-16(20-10-21-17(15)18-3)13-6-4-8-14-12(13)7-5-9-19-14/h4-11H,1-3H3,(H,18,20,21)
InChIKeyYAQYCLAXIXJKJN-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.86
Rot. Bonds3

About N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine

N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine (PubChem CID 81227945) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine
PubChem CID81227945
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine
SMILESCNc1ncnc(-c2cccc3ncccc23)c1C(C)C
InChIInChI=1S/C17H18N4/c1-11(2)15-16(20-10-21-17(15)18-3)13-6-4-8-14-12(13)7-5-9-19-14/h4-11H,1-3H3,(H,18,20,21)
InChIKeyYAQYCLAXIXJKJN-UHFFFAOYSA-N
XLogP3.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4,5-trimethyl-6-quinolin-5-ylpyridazin-3-amine
CID 81221591
1-(4-quinolin-5-ylphenyl)ethanamine
CID 81224129
CID 158967293
CID 158967293
N-ethyl-5,6-dimethyl-3-quinolin-5-ylpyrazin-2-amine
CID 81228155
(1R)-1-quinolin-5-ylethanamine
CID 55277010
5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674
5-(6-chloro-5-nitropyrimidin-4-yl)quinoline
CID 81230889
N-[(3-quinolin-5-ylphenyl)methyl]propan-2-amine
CID 81230330
N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 112744148
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
N-ethyl-6-quinolin-5-ylpyrimidin-4-amine
CID 81221755
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine (CID 81227945) is N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine is CNc1ncnc(-c2cccc3ncccc23)c1C(C)C.
What is the InChIKey of N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine?
The InChIKey is YAQYCLAXIXJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11(2)15-16(20-10-21-17(15)18-3)13-6-4-8-14-12(13)7-5-9-19-14/h4-11H,1-3H3,(H,18,20,21).
What are the key properties of N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine?
N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-6-quinolin-5-ylpyrimidin-4-amine is sourced from PubChem (CID 81227945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).