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

C14H18N4 — CID 62770847

IUPACN-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
SMILESCNC(C)c1cnc(Cc2cccnc2)nc1C
InChIInChI=1S/C14H18N4/c1-10(15-3)13-9-17-14(18-11(13)2)7-12-5-4-6-16-8-12/h4-6,8-10,15H,7H2,1-3H3
InChIKeyAGTHHTVKYIGCCU-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.05
Rot. Bonds4

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

N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine (PubChem CID 62770847) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
PubChem CID62770847
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
SMILESCNC(C)c1cnc(Cc2cccnc2)nc1C
InChIInChI=1S/C14H18N4/c1-10(15-3)13-9-17-14(18-11(13)2)7-12-5-4-6-16-8-12/h4-6,8-10,15H,7H2,1-3H3
InChIKeyAGTHHTVKYIGCCU-UHFFFAOYSA-N
XLogP2.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 62771548
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
2-benzyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 55112679
N-[[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62744955
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66153716
N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62746685
1-[2-[(4-fluorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66065530
1-[2-[(4-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66144009
2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline
CID 123285383

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine (CID 62770847) is N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine is CNC(C)c1cnc(Cc2cccnc2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is AGTHHTVKYIGCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(15-3)13-9-17-14(18-11(13)2)7-12-5-4-6-16-8-12/h4-6,8-10,15H,7H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 242.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 62770847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).