N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide

C9H11ClN4O2 — CID 116795126

IUPACN-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccnc(Cl)n1)C1CNCCO1
InChIInChI=1S/C9H11ClN4O2/c10-9-12-2-1-7(14-9)13-8(15)6-5-11-3-4-16-6/h1-2,6,11H,3-5H2,(H,12,13,14,15)
InChIKeyZQZCEDGLGQMKOC-UHFFFAOYSA-N
MW242.67 g/mol
LogP0.06
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide

N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide (PubChem CID 116795126) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide
PubChem CID116795126
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC NameN-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccnc(Cl)n1)C1CNCCO1
InChIInChI=1S/C9H11ClN4O2/c10-9-12-2-1-7(14-9)13-8(15)6-5-11-3-4-16-6/h1-2,6,11H,3-5H2,(H,12,13,14,15)
InChIKeyZQZCEDGLGQMKOC-UHFFFAOYSA-N
XLogP0.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-3-yl)morpholine-2-carboxamide
CID 62903772
(2R)-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide
CID 142318580
N-(5-fluoro-2-pyridinyl)morpholine-2-carboxamide
CID 65480472
(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951
N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 114052865
N-(1H-imidazol-2-yl)morpholine-2-carboxamide
CID 63562794
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide
CID 177062025
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
(2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide
CID 124697076
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(6-fluoro-3-pyridinyl)morpholine-2-carboxamide
CID 103808720

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide (CID 116795126) is N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide is O=C(Nc1ccnc(Cl)n1)C1CNCCO1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide?
The InChIKey is ZQZCEDGLGQMKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-9-12-2-1-7(14-9)13-8(15)6-5-11-3-4-16-6/h1-2,6,11H,3-5H2,(H,12,13,14,15).
What are the key properties of N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide?
N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide has a molecular weight of 242.67 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 116795126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).