6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine

C13H20F4N4 — CID 106296233

IUPAC6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(F)(F)C(F)F)nc(CCC)n1
InChIInChI=1S/C13H20F4N4/c1-3-5-9-20-10(18-6-4-2)7-11(21-9)19-8-13(16,17)12(14)15/h7,12H,3-6,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyBNLUUHZCRVSKPP-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.56
Rot. Bonds9

About 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine

6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine (PubChem CID 106296233) has the molecular formula C13H20F4N4 and a molecular weight of 308.32 g/mol. Its IUPAC name is 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
PubChem CID106296233
Molecular FormulaC13H20F4N4
Molecular Weight308.32 g/mol
Exact Mass308.16
IUPAC Name6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(F)(F)C(F)F)nc(CCC)n1
InChIInChI=1S/C13H20F4N4/c1-3-5-9-20-10(18-6-4-2)7-11(21-9)19-8-13(16,17)12(14)15/h7,12H,3-6,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyBNLUUHZCRVSKPP-UHFFFAOYSA-N
XLogP3.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80946119
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
CID 106296104
2-(ethoxymethyl)-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294436
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106296239
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296158

Frequently Asked Questions

What is the IUPAC name of 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine (CID 106296233) is 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine is CCCNc1cc(NCC(F)(F)C(F)F)nc(CCC)n1.
What is the InChIKey of 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is BNLUUHZCRVSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4N4/c1-3-5-9-20-10(18-6-4-2)7-11(21-9)19-8-13(16,17)12(14)15/h7,12H,3-6,8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 308.32 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106296233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).