N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide

C10H13ClN4O2 — CID 114052865

IUPACN-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)C2CNCCO2)n1
InChIInChI=1S/C10H13ClN4O2/c1-6-4-8(11)14-10(13-6)15-9(16)7-5-12-2-3-17-7/h4,7,12H,2-3,5H2,1H3,(H,13,14,15,16)
InChIKeyUCVOBLIOQWZADV-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.37
Rot. Bonds2

About N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide

N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide (PubChem CID 114052865) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
PubChem CID114052865
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC NameN-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)C2CNCCO2)n1
InChIInChI=1S/C10H13ClN4O2/c1-6-4-8(11)14-10(13-6)15-9(16)7-5-12-2-3-17-7/h4,7,12H,2-3,5H2,1H3,(H,13,14,15,16)
InChIKeyUCVOBLIOQWZADV-UHFFFAOYSA-N
XLogP0.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide?
The IUPAC name of N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide (CID 114052865) is N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide?
The canonical SMILES for N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide is Cc1cc(Cl)nc(NC(=O)C2CNCCO2)n1.
What is the InChIKey of N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide?
The InChIKey is UCVOBLIOQWZADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-6-4-8(11)14-10(13-6)15-9(16)7-5-12-2-3-17-7/h4,7,12H,2-3,5H2,1H3,(H,13,14,15,16).
What are the key properties of N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide?
N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 114052865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).