N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide

C10H13ClN4O2 — CID 126486008

IUPACN-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide
SMILESCN(C(=O)C1CNCCO1)c1cc(Cl)ncn1
InChIInChI=1S/C10H13ClN4O2/c1-15(9-4-8(11)13-6-14-9)10(16)7-5-12-2-3-17-7/h4,6-7,12H,2-3,5H2,1H3
InChIKeyDFZCRBBIRIGSBP-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.08
Rot. Bonds2

About N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide

N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide (PubChem CID 126486008) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide
PubChem CID126486008
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC NameN-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide
SMILESCN(C(=O)C1CNCCO1)c1cc(Cl)ncn1
InChIInChI=1S/C10H13ClN4O2/c1-15(9-4-8(11)13-6-14-9)10(16)7-5-12-2-3-17-7/h4,6-7,12H,2-3,5H2,1H3
InChIKeyDFZCRBBIRIGSBP-UHFFFAOYSA-N
XLogP0.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide
CID 115177410
N-methyl-N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119706070
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N-[methoxy(dimethyl)silyl]-N-methylmorpholine-2-carboxamide
CID 69339522
N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
CID 115177440
N-(1H-imidazol-2-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 64519803
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526
(2R)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124557647
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474
N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 114052865

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide (CID 126486008) is N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide is CN(C(=O)C1CNCCO1)c1cc(Cl)ncn1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide?
The InChIKey is DFZCRBBIRIGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-15(9-4-8(11)13-6-14-9)10(16)7-5-12-2-3-17-7/h4,6-7,12H,2-3,5H2,1H3.
What are the key properties of N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide?
N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 126486008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).