5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine

C15H25FN4 — CID 80848759

IUPAC5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C15H25FN4/c1-6-7-17-13-19-8-10(16)12(20-13)18-9-11-14(2,3)15(11,4)5/h8,11H,6-7,9H2,1-5H3,(H2,17,18,19,20)
InChIKeyLCANCDDHFLUURS-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.53
Rot. Bonds6

About 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine

5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80848759) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID80848759
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C15H25FN4/c1-6-7-17-13-19-8-10(16)12(20-13)18-9-11-14(2,3)15(11,4)5/h8,11H,6-7,9H2,1-5H3,(H2,17,18,19,20)
InChIKeyLCANCDDHFLUURS-UHFFFAOYSA-N
XLogP3.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 80848759) is 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is LCANCDDHFLUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-6-7-17-13-19-8-10(16)12(20-13)18-9-11-14(2,3)15(11,4)5/h8,11H,6-7,9H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 280.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80848759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).