5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide

C17H18ClFN4O2 — CID 51958351

IUPAC5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccccc1F
InChIInChI=1S/C17H18ClFN4O2/c1-11(12-4-2-3-5-14(12)19)21-16(24)15-13(18)10-20-17(22-15)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)/t11-/m1/s1
InChIKeyHIFFACRKZXIORM-LLVKDONJSA-N
MW364.81 g/mol
LogP2.60
Rot. Bonds4

About 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide

5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 51958351) has the molecular formula C17H18ClFN4O2 and a molecular weight of 364.81 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID51958351
Molecular FormulaC17H18ClFN4O2
Molecular Weight364.81 g/mol
Exact Mass364.11
IUPAC Name5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccccc1F
InChIInChI=1S/C17H18ClFN4O2/c1-11(12-4-2-3-5-14(12)19)21-16(24)15-13(18)10-20-17(22-15)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)/t11-/m1/s1
InChIKeyHIFFACRKZXIORM-LLVKDONJSA-N
XLogP2.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(2,3-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 86968037
5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 94172656
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)quinolin-4-amine
CID 126532375
(2R,3S)-3-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 124697860
5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide
CID 47047110
5-chloro-N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 166201990
5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide
CID 47044630
5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47044623
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
5-chloro-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 167847919
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 51958351) is 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide is C[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccccc1F.
What is the InChIKey of 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is HIFFACRKZXIORM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClFN4O2/c1-11(12-4-2-3-5-14(12)19)21-16(24)15-13(18)10-20-17(22-15)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)/t11-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 364.81 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 51958351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).