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

C21H27N5O2 — CID 153321126

IUPACN-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H27N5O2/c1-25(10-9-16-5-3-2-4-6-16)21-23-18(20(27)22-17-7-8-17)15-19(24-21)26-11-13-28-14-12-26/h2-6,15,17H,7-14H2,1H3,(H,22,27)
InChIKeyRQXVTAKOYIJKAJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.88
Rot. Bonds7

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

N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321126) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321126
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H27N5O2/c1-25(10-9-16-5-3-2-4-6-16)21-23-18(20(27)22-17-7-8-17)15-19(24-21)26-11-13-28-14-12-26/h2-6,15,17H,7-14H2,1H3,(H,22,27)
InChIKeyRQXVTAKOYIJKAJ-UHFFFAOYSA-N
XLogP1.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321126) is N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is RQXVTAKOYIJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25(10-9-16-5-3-2-4-6-16)21-23-18(20(27)22-17-7-8-17)15-19(24-21)26-11-13-28-14-12-26/h2-6,15,17H,7-14H2,1H3,(H,22,27).
What are the key properties of N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).