4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine

C19H24F3N5 — CID 71738340

IUPAC4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccc(C(F)(F)F)cn2)nc(NC2CCCCC2)c1C
InChIInChI=1S/C19H24F3N5/c1-12-13(2)25-18(27-17(12)26-15-6-4-3-5-7-15)24-11-16-9-8-14(10-23-16)19(20,21)22/h8-10,15H,3-7,11H2,1-2H3,(H2,24,25,26,27)
InChIKeyDDMJZKARFRGTEM-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.86
Rot. Bonds5

About 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine

4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine (PubChem CID 71738340) has the molecular formula C19H24F3N5 and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine
PubChem CID71738340
Molecular FormulaC19H24F3N5
Molecular Weight379.43 g/mol
Exact Mass379.20
IUPAC Name4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccc(C(F)(F)F)cn2)nc(NC2CCCCC2)c1C
InChIInChI=1S/C19H24F3N5/c1-12-13(2)25-18(27-17(12)26-15-6-4-3-5-7-15)24-11-16-9-8-14(10-23-16)19(20,21)22/h8-10,15H,3-7,11H2,1-2H3,(H2,24,25,26,27)
InChIKeyDDMJZKARFRGTEM-UHFFFAOYSA-N
XLogP4.86
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine (CID 71738340) is 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine is Cc1nc(NCc2ccc(C(F)(F)F)cn2)nc(NC2CCCCC2)c1C.
What is the InChIKey of 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is DDMJZKARFRGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5/c1-12-13(2)25-18(27-17(12)26-15-6-4-3-5-7-15)24-11-16-9-8-14(10-23-16)19(20,21)22/h8-10,15H,3-7,11H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine?
4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 379.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71738340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).