N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine

C16H16N4 — CID 61016402

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
SMILESCc1nccc(CNCc2ccc3ccccc3n2)n1
InChIInChI=1S/C16H16N4/c1-12-18-9-8-15(19-12)11-17-10-14-7-6-13-4-2-3-5-16(13)20-14/h2-9,17H,10-11H2,1H3
InChIKeyYQUOPSYJEOUKLK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.62
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine

N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine (PubChem CID 61016402) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
PubChem CID61016402
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
SMILESCc1nccc(CNCc2ccc3ccccc3n2)n1
InChIInChI=1S/C16H16N4/c1-12-18-9-8-15(19-12)11-17-10-14-7-6-13-4-2-3-5-16(13)20-14/h2-9,17H,10-11H2,1H3
InChIKeyYQUOPSYJEOUKLK-UHFFFAOYSA-N
XLogP2.62
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-2-ylmethanamine
CID 63306755
1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
CID 103884429
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
N-[(2-methylpyrazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
CID 63001320
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 62339520
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
CID 28774820
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62749627
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine (CID 61016402) is N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine is Cc1nccc(CNCc2ccc3ccccc3n2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine?
The InChIKey is YQUOPSYJEOUKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-18-9-8-15(19-12)11-17-10-14-7-6-13-4-2-3-5-16(13)20-14/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.62, 4 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]-1-quinolin-2-ylmethanamine is sourced from PubChem (CID 61016402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).