4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide

C12H17ClN4O2 — CID 83103546

IUPAC4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cc(C)nc(Cl)n1
InChIInChI=1S/C12H17ClN4O2/c1-3-14-11(18)9-7-19-5-4-17(9)10-6-8(2)15-12(13)16-10/h6,9H,3-5,7H2,1-2H3,(H,14,18)
InChIKeyURVJZPBRNMRMIB-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.78
Rot. Bonds3

About 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide

4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83103546) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
PubChem CID83103546
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cc(C)nc(Cl)n1
InChIInChI=1S/C12H17ClN4O2/c1-3-14-11(18)9-7-19-5-4-17(9)10-6-8(2)15-12(13)16-10/h6,9H,3-5,7H2,1-2H3,(H,14,18)
InChIKeyURVJZPBRNMRMIB-UHFFFAOYSA-N
XLogP0.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(ethylamino)-6-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83106116
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-(5-amino-6-methoxy-2-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83106690
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylmorpholine-3-carboxamide
CID 83107123
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 83104712
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83103789
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide
CID 116797240
N-ethyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535674
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide (CID 83103546) is 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1cc(C)nc(Cl)n1.
What is the InChIKey of 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is URVJZPBRNMRMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-3-14-11(18)9-7-19-5-4-17(9)10-6-8(2)15-12(13)16-10/h6,9H,3-5,7H2,1-2H3,(H,14,18).
What are the key properties of 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide?
4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83103546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).