N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide

C20H27N5O3 — CID 153321088

IUPACN-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCCO)cc(N2CCOCC2)n1
InChIInChI=1S/C20H27N5O3/c1-24(9-7-16-5-3-2-4-6-16)20-22-17(19(27)21-8-12-26)15-18(23-20)25-10-13-28-14-11-25/h2-6,15,26H,7-14H2,1H3,(H,21,27)
InChIKeyGRRTZGPVOALBHE-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.71
Rot. Bonds8

About N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321088) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321088
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCCO)cc(N2CCOCC2)n1
InChIInChI=1S/C20H27N5O3/c1-24(9-7-16-5-3-2-4-6-16)20-22-17(19(27)21-8-12-26)15-18(23-20)25-10-13-28-14-11-25/h2-6,15,26H,7-14H2,1H3,(H,21,27)
InChIKeyGRRTZGPVOALBHE-UHFFFAOYSA-N
XLogP0.71
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide 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-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321088) is N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCCO)cc(N2CCOCC2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is GRRTZGPVOALBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-24(9-7-16-5-3-2-4-6-16)20-22-17(19(27)21-8-12-26)15-18(23-20)25-10-13-28-14-11-25/h2-6,15,26H,7-14H2,1H3,(H,21,27).
What are the key properties of N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).