2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide

C21H29N5O2 — CID 153321084

IUPAC2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C21H29N5O2/c1-3-10-22-20(27)18-16-19(26-12-14-28-15-13-26)24-21(23-18)25(2)11-9-17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,22,27)
InChIKeyLNPHBVQGWNJWPB-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.13
Rot. Bonds8

About 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide

2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide (PubChem CID 153321084) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide
PubChem CID153321084
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C21H29N5O2/c1-3-10-22-20(27)18-16-19(26-12-14-28-15-13-26)24-21(23-18)25(2)11-9-17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,22,27)
InChIKeyLNPHBVQGWNJWPB-UHFFFAOYSA-N
XLogP2.13
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide (CID 153321084) is 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1.
What is the InChIKey of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide?
The InChIKey is LNPHBVQGWNJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-10-22-20(27)18-16-19(26-12-14-28-15-13-26)24-21(23-18)25(2)11-9-17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,22,27).
What are the key properties of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide?
2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).