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

C13H16N4 — CID 114245179

IUPACN-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine
SMILESCNCc1nc(Cc2ccccn2)ncc1C
InChIInChI=1S/C13H16N4/c1-10-8-16-13(17-12(10)9-14-2)7-11-5-3-4-6-15-11/h3-6,8,14H,7,9H2,1-2H3
InChIKeyNFRSDNRYTOIDMD-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.49
Rot. Bonds4

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

N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine (PubChem CID 114245179) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine
PubChem CID114245179
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine
SMILESCNCc1nc(Cc2ccccn2)ncc1C
InChIInChI=1S/C13H16N4/c1-10-8-16-13(17-12(10)9-14-2)7-11-5-3-4-6-15-11/h3-6,8,14H,7,9H2,1-2H3
InChIKeyNFRSDNRYTOIDMD-UHFFFAOYSA-N
XLogP1.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-methyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62769957
ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 102972840
N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62757130
N-methyl-1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanamine
CID 79151107
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747219
1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 113459583
N-methyl-6-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 66456024
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
CID 134267009
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine (CID 114245179) is N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine is CNCc1nc(Cc2ccccn2)ncc1C.
What is the InChIKey of N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine?
The InChIKey is NFRSDNRYTOIDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-8-16-13(17-12(10)9-14-2)7-11-5-3-4-6-15-11/h3-6,8,14H,7,9H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine?
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 114245179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).