N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine

C16H17N5O — CID 3235185

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1NCCc1cnc[nH]1
InChIInChI=1S/C16H17N5O/c1-22-15-5-3-2-4-13(15)14-9-18-11-21-16(14)19-7-6-12-8-17-10-20-12/h2-5,8-11H,6-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyIUKLKGORHXITEZ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine

N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 3235185) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID3235185
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1-c1cncnc1NCCc1cnc[nH]1
InChIInChI=1S/C16H17N5O/c1-22-15-5-3-2-4-13(15)14-9-18-11-21-16(14)19-7-6-12-8-17-10-20-12/h2-5,8-11H,6-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyIUKLKGORHXITEZ-UHFFFAOYSA-N
XLogP2.53
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine (CID 3235185) is N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine is COc1ccccc1-c1cncnc1NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is IUKLKGORHXITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-15-5-3-2-4-13(15)14-9-18-11-21-16(14)19-7-6-12-8-17-10-20-12/h2-5,8-11H,6-7H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3235185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).