N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide

C12H19N5O — CID 110257739

IUPACN,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CN(c2ncccn2)CCN1C
InChIInChI=1S/C12H19N5O/c1-15(2)11(18)10-9-17(8-7-16(10)3)12-13-5-4-6-14-12/h4-6,10H,7-9H2,1-3H3
InChIKeyGKUMWTSJYHPLMY-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.31
Rot. Bonds2

About N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide

N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide (PubChem CID 110257739) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide
PubChem CID110257739
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CN(c2ncccn2)CCN1C
InChIInChI=1S/C12H19N5O/c1-15(2)11(18)10-9-17(8-7-16(10)3)12-13-5-4-6-14-12/h4-6,10H,7-9H2,1-3H3
InChIKeyGKUMWTSJYHPLMY-UHFFFAOYSA-N
XLogP-0.31
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide?
The IUPAC name of N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide (CID 110257739) is N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide?
The canonical SMILES for N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide is CN(C)C(=O)C1CN(c2ncccn2)CCN1C.
What is the InChIKey of N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide?
The InChIKey is GKUMWTSJYHPLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-15(2)11(18)10-9-17(8-7-16(10)3)12-13-5-4-6-14-12/h4-6,10H,7-9H2,1-3H3.
What are the key properties of N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide?
N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110257739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).