6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile

C13H19N5 — CID 107544516

IUPAC6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C13H19N5/c1-10-7-11(8-14)16-12(15-10)18-6-5-17(4)13(2,3)9-18/h7H,5-6,9H2,1-4H3
InChIKeyLVJCKRSMYOFMOS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.19
Rot. Bonds1

About 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile

6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107544516) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107544516
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C13H19N5/c1-10-7-11(8-14)16-12(15-10)18-6-5-17(4)13(2,3)9-18/h7H,5-6,9H2,1-4H3
InChIKeyLVJCKRSMYOFMOS-UHFFFAOYSA-N
XLogP1.19
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544517
2-[4-(cyanomethyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107543240
1-(4-cyano-6-methylpyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 107542961
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552935
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110383480
methyl 4-(4-cyano-6-methylpyrimidin-2-yl)piperazine-1-carboxylate
CID 110404220
6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107543287
1-(4-cyano-6-methylpyrimidin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 107542962
6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404182
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404178
6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 39347700

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile (CID 107544516) is 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is LVJCKRSMYOFMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-7-11(8-14)16-12(15-10)18-6-5-17(4)13(2,3)9-18/h7H,5-6,9H2,1-4H3.
What are the key properties of 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile?
6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).