N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide

C23H28F3N5O2 — CID 153321125

IUPACN-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccc(C(F)(F)F)cc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H28F3N5O2/c1-30(9-8-16-4-6-18(7-5-16)23(24,25)26)22-28-19(21(32)27-15-17-2-3-17)14-20(29-22)31-10-12-33-13-11-31/h4-7,14,17H,2-3,8-13,15H2,1H3,(H,27,32)
InChIKeyHYABZZUCKGXFMT-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.15
Rot. Bonds8

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

N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321125) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321125
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC NameN-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccc(C(F)(F)F)cc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H28F3N5O2/c1-30(9-8-16-4-6-18(7-5-16)23(24,25)26)22-28-19(21(32)27-15-17-2-3-17)14-20(29-22)31-10-12-33-13-11-31/h4-7,14,17H,2-3,8-13,15H2,1H3,(H,27,32)
InChIKeyHYABZZUCKGXFMT-UHFFFAOYSA-N
XLogP3.15
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541719
N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
CID 145998143
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25121856
1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 44182947
1-[6-methyl-2-(methylamino)-4-pyrimidinyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 44188852
4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431799
4-(benzhydrylamino)-2-(2-methoxyethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57480939
6-[3-[4-(1,1-difluoroethyl)phenyl]propanoyl]-2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71540076
N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 145998133
N-(cyclopropylmethyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 145998139
N-(cyclopropylmethyl)-2-(methyl(phenethyl)amino)-6-morpholinopyrimidine-4-carboxamide
CID 145998142
N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
CID 145998145

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321125) is N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is CN(CCc1ccc(C(F)(F)F)cc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is HYABZZUCKGXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-30(9-8-16-4-6-18(7-5-16)23(24,25)26)22-28-19(21(32)27-15-17-2-3-17)14-20(29-22)31-10-12-33-13-11-31/h4-7,14,17H,2-3,8-13,15H2,1H3,(H,27,32).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).