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

C20H27N5O2 — CID 153321093

IUPACN-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C20H27N5O2/c1-3-21-19(26)17-15-18(25-11-13-27-14-12-25)23-20(22-17)24(2)10-9-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,21,26)
InChIKeyCZFHGZOLMRRQHX-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.74
Rot. Bonds7

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

N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321093) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321093
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C20H27N5O2/c1-3-21-19(26)17-15-18(25-11-13-27-14-12-25)23-20(22-17)24(2)10-9-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,21,26)
InChIKeyCZFHGZOLMRRQHX-UHFFFAOYSA-N
XLogP1.74
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321093) is N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is CCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1.
What is the InChIKey of N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is CZFHGZOLMRRQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-21-19(26)17-15-18(25-11-13-27-14-12-25)23-20(22-17)24(2)10-9-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,21,26).
What are the key properties of N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).