2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine

C17H19N5O2 — CID 53324544

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cn[nH]c3)nc(OC)n2)cc1
InChIInChI=1S/C17H19N5O2/c1-23-14-5-3-12(4-6-14)7-8-18-16-9-15(13-10-19-20-11-13)21-17(22-16)24-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)(H,18,21,22)
InChIKeyNFKWKXJENHRVPZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.54
Rot. Bonds7

About 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine (PubChem CID 53324544) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine
PubChem CID53324544
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cn[nH]c3)nc(OC)n2)cc1
InChIInChI=1S/C17H19N5O2/c1-23-14-5-3-12(4-6-14)7-8-18-16-9-15(13-10-19-20-11-13)21-17(22-16)24-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)(H,18,21,22)
InChIKeyNFKWKXJENHRVPZ-UHFFFAOYSA-N
XLogP2.54
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)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 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine (CID 53324544) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3cn[nH]c3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is NFKWKXJENHRVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-14-5-3-12(4-6-14)7-8-18-16-9-15(13-10-19-20-11-13)21-17(22-16)24-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)(H,18,21,22).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 325.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 53324544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).