4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide

C12H19N5O2 — CID 83106634

IUPAC4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1ncc(N)cn1
InChIInChI=1S/C12H19N5O2/c1-8(2)16-11(18)10-7-19-4-3-17(10)12-14-5-9(13)6-15-12/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,16,18)
InChIKeyOVUHAZKKXHNFSX-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.21
Rot. Bonds3

About 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide

4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83106634) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83106634
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1ncc(N)cn1
InChIInChI=1S/C12H19N5O2/c1-8(2)16-11(18)10-7-19-4-3-17(10)12-14-5-9(13)6-15-12/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,16,18)
InChIKeyOVUHAZKKXHNFSX-UHFFFAOYSA-N
XLogP-0.21
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105110
4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103518402
5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 104638974
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106635
4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
4-(6-amino-2,5-dimethylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105267
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
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-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83104655

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83106634) is 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1c1ncc(N)cn1.
What is the InChIKey of 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is OVUHAZKKXHNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(2)16-11(18)10-7-19-4-3-17(10)12-14-5-9(13)6-15-12/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,16,18).
What are the key properties of 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83106634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).