4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C14H19F3N4 — CID 114565084

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(CC1CC2CCC1C2)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C14H19F3N4/c1-21(7-10-5-8-2-3-9(10)4-8)12-6-11(14(15,16)17)19-13(18)20-12/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20)
InChIKeyBZIISHYEMBEEBO-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.95
Rot. Bonds3

About 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565084) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565084
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(CC1CC2CCC1C2)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C14H19F3N4/c1-21(7-10-5-8-2-3-9(10)4-8)12-6-11(14(15,16)17)19-13(18)20-12/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20)
InChIKeyBZIISHYEMBEEBO-UHFFFAOYSA-N
XLogP2.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565084) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(CC1CC2CCC1C2)c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is BZIISHYEMBEEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-21(7-10-5-8-2-3-9(10)4-8)12-6-11(14(15,16)17)19-13(18)20-12/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 300.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).