2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

C12H17ClN4O2 — CID 112689350

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc(Cl)cc(NC(C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17ClN4O2/c1-8(12(18)17-3-5-19-6-4-17)14-11-7-10(13)15-9(2)16-11/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyAQYCMSUASXMAKG-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.10
Rot. Bonds3

About 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 112689350) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID112689350
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc(Cl)cc(NC(C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17ClN4O2/c1-8(12(18)17-3-5-19-6-4-17)14-11-7-10(13)15-9(2)16-11/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyAQYCMSUASXMAKG-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]pyridine-4-carbonitrile
CID 114766592
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
CID 133447507
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 103579849
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 75510015
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112749321
1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282593
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-[(3-methyl-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113408683
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 112689350) is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is Cc1nc(Cl)cc(NC(C)C(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is AQYCMSUASXMAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-8(12(18)17-3-5-19-6-4-17)14-11-7-10(13)15-9(2)16-11/h7-8H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 284.75 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112689350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).