N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine

C22H22N4O2 — CID 3233965

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2NCCc2c[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C22H22N4O2/c1-27-17-5-3-4-15(10-17)20-13-23-14-26-22(20)24-9-8-16-12-25-21-7-6-18(28-2)11-19(16)21/h3-7,10-14,25H,8-9H2,1-2H3,(H,23,24,26)
InChIKeyOJTKHPQNRLMVLS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 3233965) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID3233965
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2NCCc2c[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C22H22N4O2/c1-27-17-5-3-4-15(10-17)20-13-23-14-26-22(20)24-9-8-16-12-25-21-7-6-18(28-2)11-19(16)21/h3-7,10-14,25H,8-9H2,1-2H3,(H,23,24,26)
InChIKeyOJTKHPQNRLMVLS-UHFFFAOYSA-N
XLogP4.30
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-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-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine (CID 3233965) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine is COc1cccc(-c2cncnc2NCCc2c[nH]c3ccc(OC)cc23)c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is OJTKHPQNRLMVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-17-5-3-4-15(10-17)20-13-23-14-26-22(20)24-9-8-16-12-25-21-7-6-18(28-2)11-19(16)21/h3-7,10-14,25H,8-9H2,1-2H3,(H,23,24,26).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 374.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3233965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).