5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C9H13F3N4 — CID 80785534

IUPAC5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCC(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-5(2)6-7(13)15-4-16-8(6)14-3-9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,14,15,16)
InChIKeySEXZKXKSEPISPM-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.16
Rot. Bonds3

About 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80785534) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80785534
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCC(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-5(2)6-7(13)15-4-16-8(6)14-3-9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,14,15,16)
InChIKeySEXZKXKSEPISPM-UHFFFAOYSA-N
XLogP2.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Isopropyl-N-methylpyrimidin-4-amine
CID 45095843
N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 23521480
5-Propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 57576533
4-N-ethyl-2-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 57584512
4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 58008592
1-(5-Ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine
CID 59107715
2-N,4-N-diethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 68165146
6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 68950792
5-(2,2,2-Trifluoroethyl)pyrimidine-2,4-diamine
CID 70662051
2-Tert-butyl-5-(1,1-difluoroethyl)pyrimidin-4-amine
CID 89934253
1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine
CID 118973068
2-(1,1-Difluoroethyl)-5-propan-2-ylpyrimidine
CID 122532892

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80785534) is 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NCC(F)(F)F.
What is the InChIKey of 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is SEXZKXKSEPISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5(2)6-7(13)15-4-16-8(6)14-3-9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80785534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).