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

C13H21FN4 — CID 80848678

IUPAC5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H21FN4/c1-12(2)9(13(12,3)4)7-16-10-8(14)6-17-11(15-5)18-10/h6,9H,7H2,1-5H3,(H2,15,16,17,18)
InChIKeyNNJTZPGVKYRADA-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.75
Rot. Bonds4

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

5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80848678) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID80848678
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H21FN4/c1-12(2)9(13(12,3)4)7-16-10-8(14)6-17-11(15-5)18-10/h6,9H,7H2,1-5H3,(H2,15,16,17,18)
InChIKeyNNJTZPGVKYRADA-UHFFFAOYSA-N
XLogP2.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.75
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-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 80848678) is 5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NNJTZPGVKYRADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-12(2)9(13(12,3)4)7-16-10-8(14)6-17-11(15-5)18-10/h6,9H,7H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 252.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80848678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).