4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol

C19H23F3N4O — CID 117093315

IUPAC4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)nc(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H23F3N4O/c1-12-9-17(23-11-13-3-2-4-14(10-13)19(20,21)22)26-18(24-12)25-15-5-7-16(27)8-6-15/h2-4,9-10,15-16,27H,5-8,11H2,1H3,(H2,23,24,25,26)
InChIKeyWOWNHDFTFZIFAJ-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.13
Rot. Bonds5

About 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 117093315) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID117093315
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)nc(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H23F3N4O/c1-12-9-17(23-11-13-3-2-4-14(10-13)19(20,21)22)26-18(24-12)25-15-5-7-16(27)8-6-15/h2-4,9-10,15-16,27H,5-8,11H2,1H3,(H2,23,24,25,26)
InChIKeyWOWNHDFTFZIFAJ-UHFFFAOYSA-N
XLogP4.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 117093315) is 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol is Cc1cc(NCc2cccc(C(F)(F)F)c2)nc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is WOWNHDFTFZIFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-12-9-17(23-11-13-3-2-4-14(10-13)19(20,21)22)26-18(24-12)25-15-5-7-16(27)8-6-15/h2-4,9-10,15-16,27H,5-8,11H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 380.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 117093315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).