2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine

C12H17N7 — CID 126823467

IUPAC2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3ncn[nH]3)CC2)nc(C)n1
InChIInChI=1S/C12H17N7/c1-9-7-11(16-10(2)15-9)18-3-5-19(6-4-18)12-13-8-14-17-12/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyJWSUOZKOMBHJSW-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.54
Rot. Bonds2

About 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine

2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine (PubChem CID 126823467) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine
PubChem CID126823467
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3ncn[nH]3)CC2)nc(C)n1
InChIInChI=1S/C12H17N7/c1-9-7-11(16-10(2)15-9)18-3-5-19(6-4-18)12-13-8-14-17-12/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyJWSUOZKOMBHJSW-UHFFFAOYSA-N
XLogP0.54
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridin-3-amine
CID 60922049
N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 86868244
4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 163356432
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
3-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 54939146
2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 154567019
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 133360459
4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272943

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine (CID 126823467) is 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(c3ncn[nH]3)CC2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine?
The InChIKey is JWSUOZKOMBHJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-9-7-11(16-10(2)15-9)18-3-5-19(6-4-18)12-13-8-14-17-12/h7-8H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine?
2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine has a molecular weight of 259.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 126823467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).