methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate

C12H18N4O2 — CID 104976159

IUPACmethyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N2CCN[C@H](C)C2)n1
InChIInChI=1S/C12H18N4O2/c1-8-6-10(15-11(14-8)12(17)18-3)16-5-4-13-9(2)7-16/h6,9,13H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyYTAXQYYLCAFRJM-SECBINFHSA-N
MW250.30 g/mol
LogP0.37
Rot. Bonds2

About methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate

methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate (PubChem CID 104976159) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate
PubChem CID104976159
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N2CCN[C@H](C)C2)n1
InChIInChI=1S/C12H18N4O2/c1-8-6-10(15-11(14-8)12(17)18-3)16-5-4-13-9(2)7-16/h6,9,13H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyYTAXQYYLCAFRJM-SECBINFHSA-N
XLogP0.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate (CID 104976159) is methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(N2CCN[C@H](C)C2)n1.
What is the InChIKey of methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate?
The InChIKey is YTAXQYYLCAFRJM-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-10(15-11(14-8)12(17)18-3)16-5-4-13-9(2)7-16/h6,9,13H,4-5,7H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2-carboxylate is sourced from PubChem (CID 104976159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).