2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine

C11H18N4 — CID 123999488

IUPAC2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
SMILESCc1ccnc(N2CCN(C)C(C)C2)n1
InChIInChI=1S/C11H18N4/c1-9-4-5-12-11(13-9)15-7-6-14(3)10(2)8-15/h4-5,10H,6-8H2,1-3H3
InChIKeyLQOAQQUQKNIAGC-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.93
Rot. Bonds1

About 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine

2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine (PubChem CID 123999488) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
PubChem CID123999488
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
SMILESCc1ccnc(N2CCN(C)C(C)C2)n1
InChIInChI=1S/C11H18N4/c1-9-4-5-12-11(13-9)15-7-6-14(3)10(2)8-15/h4-5,10H,6-8H2,1-3H3
InChIKeyLQOAQQUQKNIAGC-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine (CID 123999488) is 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine is Cc1ccnc(N2CCN(C)C(C)C2)n1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine?
The InChIKey is LQOAQQUQKNIAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-4-5-12-11(13-9)15-7-6-14(3)10(2)8-15/h4-5,10H,6-8H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine?
2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine has a molecular weight of 206.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine is sourced from PubChem (CID 123999488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).