4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide

C14H23N5O — CID 110259085

IUPAC4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide
SMILESCc1cc(C)nc(N2CCN(C)C(C(=O)N(C)C)C2)n1
InChIInChI=1S/C14H23N5O/c1-10-8-11(2)16-14(15-10)19-7-6-18(5)12(9-19)13(20)17(3)4/h8,12H,6-7,9H2,1-5H3
InChIKeySWJKZRVXFNZKBJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.30
Rot. Bonds2

About 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide

4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide (PubChem CID 110259085) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide
PubChem CID110259085
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide
SMILESCc1cc(C)nc(N2CCN(C)C(C(=O)N(C)C)C2)n1
InChIInChI=1S/C14H23N5O/c1-10-8-11(2)16-14(15-10)19-7-6-18(5)12(9-19)13(20)17(3)4/h8,12H,6-7,9H2,1-5H3
InChIKeySWJKZRVXFNZKBJ-UHFFFAOYSA-N
XLogP0.30
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide (CID 110259085) is 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide is Cc1cc(C)nc(N2CCN(C)C(C(=O)N(C)C)C2)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide?
The InChIKey is SWJKZRVXFNZKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-8-11(2)16-14(15-10)19-7-6-18(5)12(9-19)13(20)17(3)4/h8,12H,6-7,9H2,1-5H3.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide?
4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)-N,N,1-trimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110259085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).