4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide

C13H19ClN4O2 — CID 83103056

IUPAC4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C13H19ClN4O2/c1-8(2)12-16-10(14)6-11(17-12)18-4-5-20-7-9(18)13(19)15-3/h6,8-9H,4-5,7H2,1-3H3,(H,15,19)
InChIKeyPDELJUIWOXSALM-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.20
Rot. Bonds3

About 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide

4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 83103056) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
PubChem CID83103056
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C13H19ClN4O2/c1-8(2)12-16-10(14)6-11(17-12)18-4-5-20-7-9(18)13(19)15-3/h6,8-9H,4-5,7H2,1-3H3,(H,15,19)
InChIKeyPDELJUIWOXSALM-UHFFFAOYSA-N
XLogP1.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103197446
4-(5-amino-6-cyano-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 103468954
4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83104855
4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83105439
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80960742
1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol
CID 133476628
N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535677
4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83103546
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine
CID 80954214

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide (CID 83103056) is 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is PDELJUIWOXSALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-8(2)12-16-10(14)6-11(17-12)18-4-5-20-7-9(18)13(19)15-3/h6,8-9H,4-5,7H2,1-3H3,(H,15,19).
What are the key properties of 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide?
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83103056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).