N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine

C14H18N4 — CID 113388189

IUPACN-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine
SMILESCNCc1cnc(N(C)c2ccccc2C)nc1
InChIInChI=1S/C14H18N4/c1-11-6-4-5-7-13(11)18(3)14-16-9-12(8-15-2)10-17-14/h4-7,9-10,15H,8H2,1-3H3
InChIKeyATCRKEYJEUZINH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.27
Rot. Bonds4

About N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine

N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine (PubChem CID 113388189) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine
PubChem CID113388189
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine
SMILESCNCc1cnc(N(C)c2ccccc2C)nc1
InChIInChI=1S/C14H18N4/c1-11-6-4-5-7-13(11)18(3)14-16-9-12(8-15-2)10-17-14/h4-7,9-10,15H,8H2,1-3H3
InChIKeyATCRKEYJEUZINH-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine (CID 113388189) is N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine is CNCc1cnc(N(C)c2ccccc2C)nc1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine?
The InChIKey is ATCRKEYJEUZINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-6-4-5-7-13(11)18(3)14-16-9-12(8-15-2)10-17-14/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine?
N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 113388189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).