2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide

C9H10ClFN4O2 — CID 146469522

IUPAC2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(Cl)nc(N2CCOCC2)c1F
InChIInChI=1S/C9H10ClFN4O2/c10-9-13-6(7(12)16)5(11)8(14-9)15-1-3-17-4-2-15/h1-4H2,(H2,12,16)
InChIKeyNLBLQQGXBNAMEX-UHFFFAOYSA-N
MW260.66 g/mol
LogP0.20
Rot. Bonds2

About 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide

2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 146469522) has the molecular formula C9H10ClFN4O2 and a molecular weight of 260.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID146469522
Molecular FormulaC9H10ClFN4O2
Molecular Weight260.66 g/mol
Exact Mass260.05
IUPAC Name2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(Cl)nc(N2CCOCC2)c1F
InChIInChI=1S/C9H10ClFN4O2/c10-9-13-6(7(12)16)5(11)8(14-9)15-1-3-17-4-2-15/h1-4H2,(H2,12,16)
InChIKeyNLBLQQGXBNAMEX-UHFFFAOYSA-N
XLogP0.20
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.66
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate;methyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate;oxane
CID 165061597
2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 50993955
5-chloro-3-morpholin-4-ylpyridine-2-carboxamide
CID 166656624
3,4-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 175406117
1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol
CID 86711745
1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone
CID 167214059
tert-butyl (3R)-3-[(2-chloro-5-fluoro-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 90409880
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 50993882
2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine
CID 145480225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 146469522) is 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide is NC(=O)c1nc(Cl)nc(N2CCOCC2)c1F.
What is the InChIKey of 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is NLBLQQGXBNAMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN4O2/c10-9-13-6(7(12)16)5(11)8(14-9)15-1-3-17-4-2-15/h1-4H2,(H2,12,16).
What are the key properties of 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 260.66 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 146469522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).