N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide

C11H17N5O — CID 82044208

IUPACN,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C11H17N5O/c1-8-7-9(10(17)12-2)15-11(14-8)16-5-3-13-4-6-16/h7,13H,3-6H2,1-2H3,(H,12,17)
InChIKeyNIOABRAURTVCQH-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.45
Rot. Bonds2

About N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide

N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide (PubChem CID 82044208) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
PubChem CID82044208
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C11H17N5O/c1-8-7-9(10(17)12-2)15-11(14-8)16-5-3-13-4-6-16/h7,13H,3-6H2,1-2H3,(H,12,17)
InChIKeyNIOABRAURTVCQH-UHFFFAOYSA-N
XLogP-0.45
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 167927969
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 168900115
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
2-(4-acetylpiperazin-1-yl)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319468
6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 166021778
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 168957491
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319108
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325856

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide (CID 82044208) is N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide is CNC(=O)c1cc(C)nc(N2CCNCC2)n1.
What is the InChIKey of N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide?
The InChIKey is NIOABRAURTVCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-7-9(10(17)12-2)15-11(14-8)16-5-3-13-4-6-16/h7,13H,3-6H2,1-2H3,(H,12,17).
What are the key properties of N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide?
N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 82044208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).