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

C22H31N5O2 — CID 153321115

IUPAC2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C22H31N5O2/c1-17(2)16-23-21(28)19-15-20(27-11-13-29-14-12-27)25-22(24-19)26(3)10-9-18-7-5-4-6-8-18/h4-8,15,17H,9-14,16H2,1-3H3,(H,23,28)
InChIKeyBSWZIOYZCIOJLZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.38
Rot. Bonds8

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

2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321115) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321115
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C22H31N5O2/c1-17(2)16-23-21(28)19-15-20(27-11-13-29-14-12-27)25-22(24-19)26(3)10-9-18-7-5-4-6-8-18/h4-8,15,17H,9-14,16H2,1-3H3,(H,23,28)
InChIKeyBSWZIOYZCIOJLZ-UHFFFAOYSA-N
XLogP2.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.38
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]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321115) is 2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is CC(C)CNC(=O)c1cc(N2CCOCC2)nc(N(C)CCc2ccccc2)n1.
What is the InChIKey of 2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is BSWZIOYZCIOJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-17(2)16-23-21(28)19-15-20(27-11-13-29-14-12-27)25-22(24-19)26(3)10-9-18-7-5-4-6-8-18/h4-8,15,17H,9-14,16H2,1-3H3,(H,23,28).
What are the key properties of 2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-[methyl(2-phenylethyl)amino]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.38, 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]-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).