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

C14H23FN4 — CID 80848532

IUPAC5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H23FN4/c1-6-7-16-12-17-8-9(15)10(19-12)18-11-13(2,3)14(11,4)5/h8,11H,6-7H2,1-5H3,(H2,16,17,18,19)
InChIKeyUNNDHDQKXFBDQN-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.28
Rot. Bonds5

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

5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine (PubChem CID 80848532) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
PubChem CID80848532
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H23FN4/c1-6-7-16-12-17-8-9(15)10(19-12)18-11-13(2,3)14(11,4)5/h8,11H,6-7H2,1-5H3,(H2,16,17,18,19)
InChIKeyUNNDHDQKXFBDQN-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.28
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)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine (CID 80848532) is 5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine?
The InChIKey is UNNDHDQKXFBDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-6-7-16-12-17-8-9(15)10(19-12)18-11-13(2,3)14(11,4)5/h8,11H,6-7H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-propyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.28, 5 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)pyrimidine-2,4-diamine is sourced from PubChem (CID 80848532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).