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

C12H19FN4 — CID 80848289

IUPAC5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCC1(C)C(CNc2nc(N)ncc2F)C1(C)C
InChIInChI=1S/C12H19FN4/c1-11(2)8(12(11,3)4)6-15-9-7(13)5-16-10(14)17-9/h5,8H,6H2,1-4H3,(H3,14,15,16,17)
InChIKeyWZUCRXPRXMHMMW-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.29
Rot. Bonds3

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

5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80848289) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID80848289
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCC1(C)C(CNc2nc(N)ncc2F)C1(C)C
InChIInChI=1S/C12H19FN4/c1-11(2)8(12(11,3)4)6-15-9-7(13)5-16-10(14)17-9/h5,8H,6H2,1-4H3,(H3,14,15,16,17)
InChIKeyWZUCRXPRXMHMMW-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 80848289) is 5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is CC1(C)C(CNc2nc(N)ncc2F)C1(C)C.
What is the InChIKey of 5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WZUCRXPRXMHMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-11(2)8(12(11,3)4)6-15-9-7(13)5-16-10(14)17-9/h5,8H,6H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 238.31 g/mol, XLogP of 2.29, 3 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)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80848289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).