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

C15H14N4 — CID 61341548

IUPACN-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
SMILESCc1nccc(CNc2ccnc3ccccc23)n1
InChIInChI=1S/C15H14N4/c1-11-16-8-6-12(19-11)10-18-15-7-9-17-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBITRTPMRQQAGAL-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds3

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

N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine (PubChem CID 61341548) 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-4-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
PubChem CID61341548
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
SMILESCc1nccc(CNc2ccnc3ccccc23)n1
InChIInChI=1S/C15H14N4/c1-11-16-8-6-12(19-11)10-18-15-7-9-17-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBITRTPMRQQAGAL-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine (CID 61341548) is N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine is Cc1nccc(CNc2ccnc3ccccc23)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine?
The InChIKey is BITRTPMRQQAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-16-8-6-12(19-11)10-18-15-7-9-17-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine?
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-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-4-amine is sourced from PubChem (CID 61341548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).