[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone

C14H20FN5O2 — CID 122084636

IUPAC[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)n1
InChIInChI=1S/C14H20FN5O2/c1-22-12-2-3-16-14(18-12)20-6-4-19(5-7-20)13(21)11-8-10(15)9-17-11/h2-3,10-11,17H,4-9H2,1H3/t10-,11+/m0/s1
InChIKeyFDNXLPBUQHYCJG-WDEREUQCSA-N
MW309.35 g/mol
LogP-0.17
Rot. Bonds3

About [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone

[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 122084636) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID122084636
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC Name[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)n1
InChIInChI=1S/C14H20FN5O2/c1-22-12-2-3-16-14(18-12)20-6-4-19(5-7-20)13(21)11-8-10(15)9-17-11/h2-3,10-11,17H,4-9H2,1H3/t10-,11+/m0/s1
InChIKeyFDNXLPBUQHYCJG-WDEREUQCSA-N
XLogP-0.17
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone (CID 122084636) is [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone is COc1ccnc(N2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)n1.
What is the InChIKey of [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is FDNXLPBUQHYCJG-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-22-12-2-3-16-14(18-12)20-6-4-19(5-7-20)13(21)11-8-10(15)9-17-11/h2-3,10-11,17H,4-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 309.35 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122084636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).