N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine

C16H21N3 — CID 62191964

IUPACN,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2C)nc(C)c1CC
InChIInChI=1S/C16H21N3/c1-5-13-12(4)18-16(19-15(13)17-6-2)14-10-8-7-9-11(14)3/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyLFLVQUDRNWNJQJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.75
Rot. Bonds4

About N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine

N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 62191964) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
PubChem CID62191964
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2C)nc(C)c1CC
InChIInChI=1S/C16H21N3/c1-5-13-12(4)18-16(19-15(13)17-6-2)14-10-8-7-9-11(14)3/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyLFLVQUDRNWNJQJ-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine (CID 62191964) is N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine is CCNc1nc(-c2ccccc2C)nc(C)c1CC.
What is the InChIKey of N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is LFLVQUDRNWNJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-13-12(4)18-16(19-15(13)17-6-2)14-10-8-7-9-11(14)3/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62191964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).