3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

C11H15ClN4O2 — CID 105369598

IUPAC3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1ncncc1Cl)N1CCOCC1
InChIInChI=1S/C11H15ClN4O2/c12-9-7-13-8-15-11(9)14-2-1-10(17)16-3-5-18-6-4-16/h7-8H,1-6H2,(H,13,14,15)
InChIKeyZZWVTDKDFGEDNQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.79
Rot. Bonds4

About 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 105369598) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID105369598
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1ncncc1Cl)N1CCOCC1
InChIInChI=1S/C11H15ClN4O2/c12-9-7-13-8-15-11(9)14-2-1-10(17)16-3-5-18-6-4-16/h7-8H,1-6H2,(H,13,14,15)
InChIKeyZZWVTDKDFGEDNQ-UHFFFAOYSA-N
XLogP0.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112697162
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104923813
3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411612
5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one
CID 112683993
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115868328
2-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115578372
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112692551
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
CID 115577529
1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one
CID 115585976

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 105369598) is 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is O=C(CCNc1ncncc1Cl)N1CCOCC1.
What is the InChIKey of 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZZWVTDKDFGEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-7-13-8-15-11(9)14-2-1-10(17)16-3-5-18-6-4-16/h7-8H,1-6H2,(H,13,14,15).
What are the key properties of 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 270.72 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 105369598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).