N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine

C15H14N4 — CID 62749451

IUPACN-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
SMILESCc1nccc(CNc2cccc3cccnc23)n1
InChIInChI=1S/C15H14N4/c1-11-16-9-7-13(19-11)10-18-14-6-2-4-12-5-3-8-17-15(12)14/h2-9,18H,10H2,1H3
InChIKeyTZWXHHXZAXIMEQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine

N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine (PubChem CID 62749451) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
PubChem CID62749451
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
SMILESCc1nccc(CNc2cccc3cccnc23)n1
InChIInChI=1S/C15H14N4/c1-11-16-9-7-13(19-11)10-18-14-6-2-4-12-5-3-8-17-15(12)14/h2-9,18H,10H2,1H3
InChIKeyTZWXHHXZAXIMEQ-UHFFFAOYSA-N
XLogP2.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
N-[(5-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 81311378
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747320
N-[(3-methylfuran-2-yl)methyl]quinolin-8-amine
CID 113268147
N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline
CID 62749101
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62748401
N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinolin-8-amine
CID 43663459
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
2-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]benzenecarbothioamide
CID 62496023
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-nitroaniline
CID 104835768
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine (CID 62749451) is N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine is Cc1nccc(CNc2cccc3cccnc23)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine?
The InChIKey is TZWXHHXZAXIMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-16-9-7-13(19-11)10-18-14-6-2-4-12-5-3-8-17-15(12)14/h2-9,18H,10H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine?
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine has a molecular weight of 250.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 62749451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).