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

C13H19ClN4O2 — CID 83103410

IUPAC4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCc1nc(Cl)cc(N2CCOCC2C(=O)NC(C)C)n1
InChIInChI=1S/C13H19ClN4O2/c1-8(2)15-13(19)10-7-20-5-4-18(10)12-6-11(14)16-9(3)17-12/h6,8,10H,4-5,7H2,1-3H3,(H,15,19)
InChIKeyCJTIWUBEYPDKJG-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.17
Rot. Bonds3

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

4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83103410) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83103410
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCc1nc(Cl)cc(N2CCOCC2C(=O)NC(C)C)n1
InChIInChI=1S/C13H19ClN4O2/c1-8(2)15-13(19)10-7-20-5-4-18(10)12-6-11(14)16-9(3)17-12/h6,8,10H,4-5,7H2,1-3H3,(H,15,19)
InChIKeyCJTIWUBEYPDKJG-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83103056
4-(6-hydrazinyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105801
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid
CID 83101946
4-(6-amino-2,5-dimethylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105267
4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105110
4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097596
4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 114845828
1-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]propan-2-ol
CID 133476628
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83103410) is 4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide is Cc1nc(Cl)cc(N2CCOCC2C(=O)NC(C)C)n1.
What is the InChIKey of 4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is CJTIWUBEYPDKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-8(2)15-13(19)10-7-20-5-4-18(10)12-6-11(14)16-9(3)17-12/h6,8,10H,4-5,7H2,1-3H3,(H,15,19).
What are the key properties of 4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.17, 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-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83103410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).