1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C22H27N7O — CID 22328693

IUPAC1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1nc(-c2ccccc2)nc(N2CCN(c3ccnc(C(C)O)n3)C(C)(C)C2)n1
InChIInChI=1S/C22H27N7O/c1-15(30)19-23-11-10-18(26-19)29-13-12-28(14-22(29,3)4)21-25-16(2)24-20(27-21)17-8-6-5-7-9-17/h5-11,15,30H,12-14H2,1-4H3
InChIKeyCOYFMZNMNJQDMD-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.80
Rot. Bonds4

About 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 22328693) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID22328693
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1nc(-c2ccccc2)nc(N2CCN(c3ccnc(C(C)O)n3)C(C)(C)C2)n1
InChIInChI=1S/C22H27N7O/c1-15(30)19-23-11-10-18(26-19)29-13-12-28(14-22(29,3)4)21-25-16(2)24-20(27-21)17-8-6-5-7-9-17/h5-11,15,30H,12-14H2,1-4H3
InChIKeyCOYFMZNMNJQDMD-UHFFFAOYSA-N
XLogP2.80
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 22328693) is 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1nc(-c2ccccc2)nc(N2CCN(c3ccnc(C(C)O)n3)C(C)(C)C2)n1.
What is the InChIKey of 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is COYFMZNMNJQDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-15(30)19-23-11-10-18(26-19)29-13-12-28(14-22(29,3)4)21-25-16(2)24-20(27-21)17-8-6-5-7-9-17/h5-11,15,30H,12-14H2,1-4H3.
What are the key properties of 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 405.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22328693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).