(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid

C10H13FN4O2 — CID 69455934

IUPAC(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)O)CCN1c1ncc(F)cn1
InChIInChI=1S/C10H13FN4O2/c1-7-6-14(10(16)17)2-3-15(7)9-12-4-8(11)5-13-9/h4-5,7H,2-3,6H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeySZCUBBIOMNLGGL-SSDOTTSWSA-N
MW240.24 g/mol
LogP0.80
Rot. Bonds1

About (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid

(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid (PubChem CID 69455934) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid
PubChem CID69455934
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)O)CCN1c1ncc(F)cn1
InChIInChI=1S/C10H13FN4O2/c1-7-6-14(10(16)17)2-3-15(7)9-12-4-8(11)5-13-9/h4-5,7H,2-3,6H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeySZCUBBIOMNLGGL-SSDOTTSWSA-N
XLogP0.80
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid?
The IUPAC name of (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid (CID 69455934) is (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid is C[C@@H]1CN(C(=O)O)CCN1c1ncc(F)cn1.
What is the InChIKey of (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid?
The InChIKey is SZCUBBIOMNLGGL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-7-6-14(10(16)17)2-3-15(7)9-12-4-8(11)5-13-9/h4-5,7H,2-3,6H2,1H3,(H,16,17)/t7-/m1/s1.
What are the key properties of (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid?
(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 69455934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).