N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine

C15H14N4 — CID 78921379

IUPACN-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
SMILESc1cnc2c(CNCc3cncnc3)cccc2c1
InChIInChI=1S/C15H14N4/c1-3-13-5-2-6-19-15(13)14(4-1)10-16-7-12-8-17-11-18-9-12/h1-6,8-9,11,16H,7,10H2
InChIKeyKSCIXRYMCSCPKI-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.31
Rot. Bonds4

About N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine

N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine (PubChem CID 78921379) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
PubChem CID78921379
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
SMILESc1cnc2c(CNCc3cncnc3)cccc2c1
InChIInChI=1S/C15H14N4/c1-3-13-5-2-6-19-15(13)14(4-1)10-16-7-12-8-17-11-18-9-12/h1-6,8-9,11,16H,7,10H2
InChIKeyKSCIXRYMCSCPKI-UHFFFAOYSA-N
XLogP2.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
CID 78980821
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
2-[(pyrimidin-5-ylmethylamino)methyl]phenol
CID 115607845
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine?
The IUPAC name of N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine (CID 78921379) is N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine is c1cnc2c(CNCc3cncnc3)cccc2c1.
What is the InChIKey of N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine?
The InChIKey is KSCIXRYMCSCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-3-13-5-2-6-19-15(13)14(4-1)10-16-7-12-8-17-11-18-9-12/h1-6,8-9,11,16H,7,10H2.
What are the key properties of N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine?
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine has a molecular weight of 250.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 78921379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).