N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine

C15H20N4 — CID 62770321

IUPACN-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(Cc2cccnc2)nc1C
InChIInChI=1S/C15H20N4/c1-4-17-11(2)14-10-18-15(19-12(14)3)8-13-6-5-7-16-9-13/h5-7,9-11,17H,4,8H2,1-3H3
InChIKeyIMQSCROPWRBJHR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.44
Rot. Bonds5

About N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine

N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine (PubChem CID 62770321) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
PubChem CID62770321
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(Cc2cccnc2)nc1C
InChIInChI=1S/C15H20N4/c1-4-17-11(2)14-10-18-15(19-12(14)3)8-13-6-5-7-16-9-13/h5-7,9-11,17H,4,8H2,1-3H3
InChIKeyIMQSCROPWRBJHR-UHFFFAOYSA-N
XLogP2.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770847
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 62771903
N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine
CID 104736901
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
N-[[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62744955
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 113291435
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
CID 62770494
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 66153717
2-benzyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 55112679
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
N-methyl-1-[4-methyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62769957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine (CID 62770321) is N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine is CCNC(C)c1cnc(Cc2cccnc2)nc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is IMQSCROPWRBJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-17-11(2)14-10-18-15(19-12(14)3)8-13-6-5-7-16-9-13/h5-7,9-11,17H,4,8H2,1-3H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine?
N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 62770321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).