(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

C15H21FN4O — CID 178126666

IUPAC(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC=C(F)CCc1cc(N[C@H](C)C(=O)N2CCCC2)ncn1
InChIInChI=1S/C15H21FN4O/c1-11(16)5-6-13-9-14(18-10-17-13)19-12(2)15(21)20-7-3-4-8-20/h9-10,12H,1,3-8H2,2H3,(H,17,18,19)/t12-/m1/s1
InChIKeyWKAHJQLKDUFPGZ-GFCCVEGCSA-N
MW292.36 g/mol
LogP2.32
Rot. Bonds6

About (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 178126666) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID178126666
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESC=C(F)CCc1cc(N[C@H](C)C(=O)N2CCCC2)ncn1
InChIInChI=1S/C15H21FN4O/c1-11(16)5-6-13-9-14(18-10-17-13)19-12(2)15(21)20-7-3-4-8-20/h9-10,12H,1,3-8H2,2H3,(H,17,18,19)/t12-/m1/s1
InChIKeyWKAHJQLKDUFPGZ-GFCCVEGCSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 118720437
4-[(4,6-Dimethyl-2-pyrimidinyl)amino]-1-methyl-2-pyrrolidinone
CID 45182021
N-{2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl}acetamide
CID 50950552
2-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
CID 50968814
2-{4-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]piperidin-1-yl}acetamide
CID 50974744
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 178126666) is (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is C=C(F)CCc1cc(N[C@H](C)C(=O)N2CCCC2)ncn1.
What is the InChIKey of (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WKAHJQLKDUFPGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-11(16)5-6-13-9-14(18-10-17-13)19-12(2)15(21)20-7-3-4-8-20/h9-10,12H,1,3-8H2,2H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 292.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 178126666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).