3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one

C16H23FN4O2 — CID 89490029

IUPAC3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)C1CC1
InChIInChI=1S/C16H23FN4O2/c1-9(10-6-7-10)19-13-18-8-11(17)12(20-13)21-14(22)23-16(4,5)15(21,2)3/h8-10H,6-7H2,1-5H3,(H,18,19,20)/t9-/m0/s1
InChIKeyJWAGZWWWESYOLX-VIFPVBQESA-N
MW322.38 g/mol
LogP3.34
Rot. Bonds4

About 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one (PubChem CID 89490029) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
PubChem CID89490029
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)C1CC1
InChIInChI=1S/C16H23FN4O2/c1-9(10-6-7-10)19-13-18-8-11(17)12(20-13)21-14(22)23-16(4,5)15(21,2)3/h8-10H,6-7H2,1-5H3,(H,18,19,20)/t9-/m0/s1
InChIKeyJWAGZWWWESYOLX-VIFPVBQESA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one (CID 89490029) is 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one is C[C@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)C1CC1.
What is the InChIKey of 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The InChIKey is JWAGZWWWESYOLX-VIFPVBQESA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-9(10-6-7-10)19-13-18-8-11(17)12(20-13)21-14(22)23-16(4,5)15(21,2)3/h8-10H,6-7H2,1-5H3,(H,18,19,20)/t9-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one has a molecular weight of 322.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-cyclopropylethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89490029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).