4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide

C12H19N5O — CID 50984715

IUPAC4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCc1cnc(C)nc1N1CCN(C(N)=O)CC1
InChIInChI=1S/C12H19N5O/c1-3-10-8-14-9(2)15-11(10)16-4-6-17(7-5-16)12(13)18/h8H,3-7H2,1-2H3,(H2,13,18)
InChIKeyPKHSWWCDTOSATP-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.55
Rot. Bonds2

About 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide

4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 50984715) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID50984715
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCc1cnc(C)nc1N1CCN(C(N)=O)CC1
InChIInChI=1S/C12H19N5O/c1-3-10-8-14-9(2)15-11(10)16-4-6-17(7-5-16)12(13)18/h8H,3-7H2,1-2H3,(H2,13,18)
InChIKeyPKHSWWCDTOSATP-UHFFFAOYSA-N
XLogP0.55
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide (CID 50984715) is 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide is CCc1cnc(C)nc1N1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is PKHSWWCDTOSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-10-8-14-9(2)15-11(10)16-4-6-17(7-5-16)12(13)18/h8H,3-7H2,1-2H3,(H2,13,18).
What are the key properties of 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 50984715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).