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

C14H19F3N4 — CID 114565083

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CC3CCC2C3)cc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N4/c1-18-13-20-11(14(15,16)17)6-12(21-13)19-7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20,21)
InChIKeyVYTZQWUMJLJUCB-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.39
Rot. Bonds4

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

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565083) 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)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565083
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CC3CCC2C3)cc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N4/c1-18-13-20-11(14(15,16)17)6-12(21-13)19-7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20,21)
InChIKeyVYTZQWUMJLJUCB-UHFFFAOYSA-N
XLogP3.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564846
2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564704
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80834683
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937154
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80834865
4-N-(3,3-dimethylbutyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565969
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 79554761
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 63684841

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565083) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NCC2CC3CCC2C3)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VYTZQWUMJLJUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-18-13-20-11(14(15,16)17)6-12(21-13)19-7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 300.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 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)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).