2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine

C18H24FN5O — CID 128973705

IUPAC2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2ccnc(C3CC3)n2)on1
InChIInChI=1S/C18H24FN5O/c1-12-7-16(25-22-12)11-24-9-14(19)8-15(24)10-23(2)17-5-6-20-18(21-17)13-3-4-13/h5-7,13-15H,3-4,8-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyCPJFKRIOYQUPPK-GJZGRUSLSA-N
MW345.42 g/mol
LogP2.70
Rot. Bonds6

About 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine

2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine (PubChem CID 128973705) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine
PubChem CID128973705
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2ccnc(C3CC3)n2)on1
InChIInChI=1S/C18H24FN5O/c1-12-7-16(25-22-12)11-24-9-14(19)8-15(24)10-23(2)17-5-6-20-18(21-17)13-3-4-13/h5-7,13-15H,3-4,8-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyCPJFKRIOYQUPPK-GJZGRUSLSA-N
XLogP2.70
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine (CID 128973705) is 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine is Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2ccnc(C3CC3)n2)on1.
What is the InChIKey of 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine?
The InChIKey is CPJFKRIOYQUPPK-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-12-7-16(25-22-12)11-24-9-14(19)8-15(24)10-23(2)17-5-6-20-18(21-17)13-3-4-13/h5-7,13-15H,3-4,8-11H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine?
2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine has a molecular weight of 345.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 128973705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).