N-methyl-N-phenylpyrimidin-2-amine

C11H11N3 — CID 817457

IUPACN-methyl-N-phenylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1ncccn1
InChIInChI=1S/C11H11N3/c1-14(10-6-3-2-4-7-10)11-12-8-5-9-13-11/h2-9H,1H3
InChIKeyYKXAYPNZEVBARS-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.24
Rot. Bonds2

About N-methyl-N-phenylpyrimidin-2-amine

N-methyl-N-phenylpyrimidin-2-amine (PubChem CID 817457) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-methyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-phenylpyrimidin-2-amine
PubChem CID817457
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC NameN-methyl-N-phenylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1ncccn1
InChIInChI=1S/C11H11N3/c1-14(10-6-3-2-4-7-10)11-12-8-5-9-13-11/h2-9H,1H3
InChIKeyYKXAYPNZEVBARS-UHFFFAOYSA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylpyrimidin-2-amine?
The IUPAC name of N-methyl-N-phenylpyrimidin-2-amine (CID 817457) is N-methyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for N-methyl-N-phenylpyrimidin-2-amine is CN(c1ccccc1)c1ncccn1.
What is the InChIKey of N-methyl-N-phenylpyrimidin-2-amine?
The InChIKey is YKXAYPNZEVBARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-14(10-6-3-2-4-7-10)11-12-8-5-9-13-11/h2-9H,1H3.
What are the key properties of N-methyl-N-phenylpyrimidin-2-amine?
N-methyl-N-phenylpyrimidin-2-amine has a molecular weight of 185.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 817457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).