methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate

C11H18N4O2 — CID 90453642

IUPACmethyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2=CC(C)N=CN2)CC1
InChIInChI=1S/C11H18N4O2/c1-9-7-10(13-8-12-9)14-3-5-15(6-4-14)11(16)17-2/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeySIUALYSAMQUTAY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.23
Rot. Bonds1

About methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate

methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate (PubChem CID 90453642) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate
PubChem CID90453642
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2=CC(C)N=CN2)CC1
InChIInChI=1S/C11H18N4O2/c1-9-7-10(13-8-12-9)14-3-5-15(6-4-14)11(16)17-2/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeySIUALYSAMQUTAY-UHFFFAOYSA-N
XLogP0.23
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate (CID 90453642) is methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate is COC(=O)N1CCN(C2=CC(C)N=CN2)CC1.
What is the InChIKey of methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate?
The InChIKey is SIUALYSAMQUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9-7-10(13-8-12-9)14-3-5-15(6-4-14)11(16)17-2/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate?
methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 90453642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).