3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one

C14H22N4O3 — CID 110113786

IUPAC3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
SMILESCNc1cc(C)nc(C2COCCN2C(=O)CCOC)n1
InChIInChI=1S/C14H22N4O3/c1-10-8-12(15-2)17-14(16-10)11-9-21-7-5-18(11)13(19)4-6-20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyFGYOPBPHHYQLHB-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.76
Rot. Bonds5

About 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one

3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one (PubChem CID 110113786) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
PubChem CID110113786
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
SMILESCNc1cc(C)nc(C2COCCN2C(=O)CCOC)n1
InChIInChI=1S/C14H22N4O3/c1-10-8-12(15-2)17-14(16-10)11-9-21-7-5-18(11)13(19)4-6-20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyFGYOPBPHHYQLHB-UHFFFAOYSA-N
XLogP0.76
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 124940280
[(3R)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124967847
[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125023396
2-[(3S)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]ethanol
CID 124962756
N,6-dimethyl-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 125025039
2-(dimethylamino)-1-[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]morpholin-4-yl]ethanone
CID 110113853
1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95821548
1-[2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110256042
N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide
CID 110113783
3-methoxy-1-[(2S)-2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 95843739
N,6-dimethyl-2-[(3R)-4-(1-methylpiperidin-4-yl)morpholin-3-yl]pyrimidin-4-amine
CID 124941290
N,6-dimethyl-2-[(3R)-4-[(5-methylthiophen-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 125024721

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one (CID 110113786) is 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one is CNc1cc(C)nc(C2COCCN2C(=O)CCOC)n1.
What is the InChIKey of 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one?
The InChIKey is FGYOPBPHHYQLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-8-12(15-2)17-14(16-10)11-9-21-7-5-18(11)13(19)4-6-20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one?
3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one has a molecular weight of 294.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110113786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).