5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine

C11H16F4N4 — CID 106296158

IUPAC5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H16F4N4/c1-3-4-7-18-8(16)6(2)9(19-7)17-5-11(14,15)10(12)13/h10H,3-5H2,1-2H3,(H3,16,17,18,19)
InChIKeyAEVCRBLFIAHWOH-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.63
Rot. Bonds6

About 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine

5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine (PubChem CID 106296158) has the molecular formula C11H16F4N4 and a molecular weight of 280.27 g/mol. Its IUPAC name is 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
PubChem CID106296158
Molecular FormulaC11H16F4N4
Molecular Weight280.27 g/mol
Exact Mass280.13
IUPAC Name5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H16F4N4/c1-3-4-7-18-8(16)6(2)9(19-7)17-5-11(14,15)10(12)13/h10H,3-5H2,1-2H3,(H3,16,17,18,19)
InChIKeyAEVCRBLFIAHWOH-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine (CID 106296158) is 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is AEVCRBLFIAHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N4/c1-3-4-7-18-8(16)6(2)9(19-7)17-5-11(14,15)10(12)13/h10H,3-5H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 280.27 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106296158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).