(2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid

C12H18N4O2 — CID 174238710

IUPAC(2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid
SMILESCc1cnc(N2C[C@@H](C)N(C(=O)O)C[C@H]2C)nc1
InChIInChI=1S/C12H18N4O2/c1-8-4-13-11(14-5-8)15-6-10(3)16(12(17)18)7-9(15)2/h4-5,9-10H,6-7H2,1-3H3,(H,17,18)/t9-,10-/m1/s1
InChIKeyCFTJQLNCIKNEDU-NXEZZACHSA-N
MW250.30 g/mol
LogP1.36
Rot. Bonds1

About (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid

(2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid (PubChem CID 174238710) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid
PubChem CID174238710
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid
SMILESCc1cnc(N2C[C@@H](C)N(C(=O)O)C[C@H]2C)nc1
InChIInChI=1S/C12H18N4O2/c1-8-4-13-11(14-5-8)15-6-10(3)16(12(17)18)7-9(15)2/h4-5,9-10H,6-7H2,1-3H3,(H,17,18)/t9-,10-/m1/s1
InChIKeyCFTJQLNCIKNEDU-NXEZZACHSA-N
XLogP1.36
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid (CID 174238710) is (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid is Cc1cnc(N2C[C@@H](C)N(C(=O)O)C[C@H]2C)nc1.
What is the InChIKey of (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is CFTJQLNCIKNEDU-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-4-13-11(14-5-8)15-6-10(3)16(12(17)18)7-9(15)2/h4-5,9-10H,6-7H2,1-3H3,(H,17,18)/t9-,10-/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid?
(2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 174238710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).