1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide

C12H19N5O2 — CID 66318976

IUPAC1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1cc(N2CCNCC2C(=O)N(C)C)ncn1
InChIInChI=1S/C12H19N5O2/c1-16(2)12(18)9-7-13-4-5-17(9)10-6-11(19-3)15-8-14-10/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyVTTYXSNUTBOCDJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.65
Rot. Bonds3

About 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide

1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 66318976) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID66318976
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1cc(N2CCNCC2C(=O)N(C)C)ncn1
InChIInChI=1S/C12H19N5O2/c1-16(2)12(18)9-7-13-4-5-17(9)10-6-11(19-3)15-8-14-10/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyVTTYXSNUTBOCDJ-UHFFFAOYSA-N
XLogP-0.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide (CID 66318976) is 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide is COc1cc(N2CCNCC2C(=O)N(C)C)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is VTTYXSNUTBOCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16(2)12(18)9-7-13-4-5-17(9)10-6-11(19-3)15-8-14-10/h6,8-9,13H,4-5,7H2,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide?
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 66318976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).