2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one

C19H23FN4O3 — CID 133369175

IUPAC2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(Nc1nccc(Oc2ccc(F)cc2)n1)C(=O)N1CCOCC1
InChIInChI=1S/C19H23FN4O3/c1-13(2)17(18(25)24-9-11-26-12-10-24)23-19-21-8-7-16(22-19)27-15-5-3-14(20)4-6-15/h3-8,13,17H,9-12H2,1-2H3,(H,21,22,23)
InChIKeySNAZJYCUTDFMBW-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.70
Rot. Bonds6

About 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one

2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 133369175) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID133369175
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(Nc1nccc(Oc2ccc(F)cc2)n1)C(=O)N1CCOCC1
InChIInChI=1S/C19H23FN4O3/c1-13(2)17(18(25)24-9-11-26-12-10-24)23-19-21-8-7-16(22-19)27-15-5-3-14(20)4-6-15/h3-8,13,17H,9-12H2,1-2H3,(H,21,22,23)
InChIKeySNAZJYCUTDFMBW-UHFFFAOYSA-N
XLogP2.70
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
CID 133416657
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 133369179
4-(4-fluorophenoxy)-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 133311843
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
CID 56575792
2-(4-fluorophenoxy)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94822842
4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine
CID 56554175
4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 56575580
6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile
CID 133420091
1-N'-(4-fluorophenyl)-1-N-[4-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 164620662
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one (CID 133369175) is 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)C(Nc1nccc(Oc2ccc(F)cc2)n1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is SNAZJYCUTDFMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-13(2)17(18(25)24-9-11-26-12-10-24)23-19-21-8-7-16(22-19)27-15-5-3-14(20)4-6-15/h3-8,13,17H,9-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 374.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 133369175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).