1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine

C13H16N4 — CID 62745820

IUPAC1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine
SMILESCNCc1c(C)nc(-c2ccccn2)nc1C
InChIInChI=1S/C13H16N4/c1-9-11(8-14-3)10(2)17-13(16-9)12-6-4-5-7-15-12/h4-7,14H,8H2,1-3H3
InChIKeyHOZIISUSWGUMKR-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.87
Rot. Bonds3

About 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine

1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine (PubChem CID 62745820) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine
PubChem CID62745820
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine
SMILESCNCc1c(C)nc(-c2ccccn2)nc1C
InChIInChI=1S/C13H16N4/c1-9-11(8-14-3)10(2)17-13(16-9)12-6-4-5-7-15-12/h4-7,14H,8H2,1-3H3
InChIKeyHOZIISUSWGUMKR-UHFFFAOYSA-N
XLogP1.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine (CID 62745820) is 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine is CNCc1c(C)nc(-c2ccccn2)nc1C.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine?
The InChIKey is HOZIISUSWGUMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-11(8-14-3)10(2)17-13(16-9)12-6-4-5-7-15-12/h4-7,14H,8H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine?
1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine has a molecular weight of 228.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine is sourced from PubChem (CID 62745820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).