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

C11H17FN4 — CID 80849004

IUPAC5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
SMILESCC1(C)C(Nc2nc(N)ncc2F)C1(C)C
InChIInChI=1S/C11H17FN4/c1-10(2)8(11(10,3)4)15-7-6(12)5-14-9(13)16-7/h5,8H,1-4H3,(H3,13,14,15,16)
InChIKeyUSHJYKASOIHOJB-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.04
Rot. Bonds2

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

5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine (PubChem CID 80849004) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
PubChem CID80849004
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
SMILESCC1(C)C(Nc2nc(N)ncc2F)C1(C)C
InChIInChI=1S/C11H17FN4/c1-10(2)8(11(10,3)4)15-7-6(12)5-14-9(13)16-7/h5,8H,1-4H3,(H3,13,14,15,16)
InChIKeyUSHJYKASOIHOJB-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine (CID 80849004) is 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine is CC1(C)C(Nc2nc(N)ncc2F)C1(C)C.
What is the InChIKey of 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine?
The InChIKey is USHJYKASOIHOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-10(2)8(11(10,3)4)15-7-6(12)5-14-9(13)16-7/h5,8H,1-4H3,(H3,13,14,15,16).
What are the key properties of 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine has a molecular weight of 224.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80849004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).