N-benzylpyrimidin-5-amine

C11H11N3 — CID 819920

IUPACN-benzylpyrimidin-5-amine
SMILESc1ccc(CNc2cncnc2)cc1
InChIInChI=1S/C11H11N3/c1-2-4-10(5-3-1)6-14-11-7-12-9-13-8-11/h1-5,7-9,14H,6H2
InChIKeyLDVQFOUALXZRJO-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.09
Rot. Bonds3

About N-benzylpyrimidin-5-amine

N-benzylpyrimidin-5-amine (PubChem CID 819920) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-benzylpyrimidin-5-amine.

Molecular Properties

Compound NameN-benzylpyrimidin-5-amine
PubChem CID819920
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC NameN-benzylpyrimidin-5-amine
SMILESc1ccc(CNc2cncnc2)cc1
InChIInChI=1S/C11H11N3/c1-2-4-10(5-3-1)6-14-11-7-12-9-13-8-11/h1-5,7-9,14H,6H2
InChIKeyLDVQFOUALXZRJO-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzylpyrimidin-5-amine?
The IUPAC name of N-benzylpyrimidin-5-amine (CID 819920) is N-benzylpyrimidin-5-amine.
What is the SMILES notation for N-benzylpyrimidin-5-amine?
The canonical SMILES for N-benzylpyrimidin-5-amine is c1ccc(CNc2cncnc2)cc1.
What is the InChIKey of N-benzylpyrimidin-5-amine?
The InChIKey is LDVQFOUALXZRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-4-10(5-3-1)6-14-11-7-12-9-13-8-11/h1-5,7-9,14H,6H2.
What are the key properties of N-benzylpyrimidin-5-amine?
N-benzylpyrimidin-5-amine has a molecular weight of 185.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpyrimidin-5-amine is sourced from PubChem (CID 819920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).