methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine

C12H20F3N5 — CID 142292904

IUPACmethanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine
SMILESCN.Nc1cncnc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4.CH5N/c12-11(13,14)7-1-3-8(4-2-7)18-10-9(15)5-16-6-17-10;1-2/h5-8H,1-4,15H2,(H,16,17,18);2H2,1H3
InChIKeyWKGRKVJQMBIGIY-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.17
Rot. Bonds2

About methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine

methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine (PubChem CID 142292904) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Namemethanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine
PubChem CID142292904
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Namemethanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine
SMILESCN.Nc1cncnc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4.CH5N/c12-11(13,14)7-1-3-8(4-2-7)18-10-9(15)5-16-6-17-10;1-2/h5-8H,1-4,15H2,(H,16,17,18);2H2,1H3
InChIKeyWKGRKVJQMBIGIY-UHFFFAOYSA-N
XLogP2.17
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine?
The IUPAC name of methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine (CID 142292904) is methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine.
What is the SMILES notation for methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine?
The canonical SMILES for methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine is CN.Nc1cncnc1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine?
The InChIKey is WKGRKVJQMBIGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4.CH5N/c12-11(13,14)7-1-3-8(4-2-7)18-10-9(15)5-16-6-17-10;1-2/h5-8H,1-4,15H2,(H,16,17,18);2H2,1H3.
What are the key properties of methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine?
methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine has a molecular weight of 291.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-N-[4-(trifluoromethyl)cyclohexyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 142292904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).