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

C12H19F3N4 — CID 80777392

IUPAC5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(F)(F)F)c1C(C)C
InChIInChI=1S/C12H19F3N4/c1-4-5-16-10-9(8(2)3)11(19-7-18-10)17-6-12(13,14)15/h7-8H,4-6H2,1-3H3,(H2,16,17,18,19)
InChIKeyABEYSOXNBQFISU-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.40
Rot. Bonds6

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

5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80777392) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80777392
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(F)(F)F)c1C(C)C
InChIInChI=1S/C12H19F3N4/c1-4-5-16-10-9(8(2)3)11(19-7-18-10)17-6-12(13,14)15/h7-8H,4-6H2,1-3H3,(H2,16,17,18,19)
InChIKeyABEYSOXNBQFISU-UHFFFAOYSA-N
XLogP3.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80777392) is 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(NCC(F)(F)F)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is ABEYSOXNBQFISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-4-5-16-10-9(8(2)3)11(19-7-18-10)17-6-12(13,14)15/h7-8H,4-6H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 276.31 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80777392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).