tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate

C14H21FN4O2 — CID 97176973

IUPACtert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ncc(F)cn2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H21FN4O2/c1-10-9-18(12-16-7-11(15)8-17-12)5-6-19(10)13(20)21-14(2,3)4/h7-8,10H,5-6,9H2,1-4H3/t10-/m1/s1
InChIKeyYXDZCBFYISMYMM-SNVBAGLBSA-N
MW296.35 g/mol
LogP2.06
Rot. Bonds1

About tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate

tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate (PubChem CID 97176973) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate
PubChem CID97176973
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Nametert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ncc(F)cn2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H21FN4O2/c1-10-9-18(12-16-7-11(15)8-17-12)5-6-19(10)13(20)21-14(2,3)4/h7-8,10H,5-6,9H2,1-4H3/t10-/m1/s1
InChIKeyYXDZCBFYISMYMM-SNVBAGLBSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate (CID 97176973) is tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate is C[C@@H]1CN(c2ncc(F)cn2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate?
The InChIKey is YXDZCBFYISMYMM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-10-9-18(12-16-7-11(15)8-17-12)5-6-19(10)13(20)21-14(2,3)4/h7-8,10H,5-6,9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate?
tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate has a molecular weight of 296.35 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 97176973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).