4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine

C16H26N4 — CID 72926799

IUPAC4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCN(C3CCCCC3)CC2)c1C
InChIInChI=1S/C16H26N4/c1-13-14(2)17-12-18-16(13)20-10-8-19(9-11-20)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3
InChIKeyCOGFNJNMPLOBHE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds2

About 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine

4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine (PubChem CID 72926799) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine
PubChem CID72926799
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCN(C3CCCCC3)CC2)c1C
InChIInChI=1S/C16H26N4/c1-13-14(2)17-12-18-16(13)20-10-8-19(9-11-20)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3
InChIKeyCOGFNJNMPLOBHE-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine?
The IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine (CID 72926799) is 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine is Cc1ncnc(N2CCN(C3CCCCC3)CC2)c1C.
What is the InChIKey of 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine?
The InChIKey is COGFNJNMPLOBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-14(2)17-12-18-16(13)20-10-8-19(9-11-20)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3.
What are the key properties of 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine?
4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperazin-1-yl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 72926799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).