2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C13H19F3N4 — CID 80980776

IUPAC2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(NCC(F)(F)F)c1C
InChIInChI=1S/C13H19F3N4/c1-3-6-17-10-8(2)11(18-7-13(14,15)16)20-12(19-10)9-4-5-9/h9H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyAGCHSGAEGKWUEH-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.46
Rot. Bonds6

About 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80980776) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80980776
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(NCC(F)(F)F)c1C
InChIInChI=1S/C13H19F3N4/c1-3-6-17-10-8(2)11(18-7-13(14,15)16)20-12(19-10)9-4-5-9/h9H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyAGCHSGAEGKWUEH-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80980776) is 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1nc(C2CC2)nc(NCC(F)(F)F)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is AGCHSGAEGKWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-6-17-10-8(2)11(18-7-13(14,15)16)20-12(19-10)9-4-5-9/h9H,3-7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80980776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).