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

C14H23FN4 — CID 80848761

IUPAC2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H23FN4/c1-6-16-12-18-7-9(15)11(19-12)17-8-10-13(2,3)14(10,4)5/h7,10H,6,8H2,1-5H3,(H2,16,17,18,19)
InChIKeyGWXIBGLWKJJTCY-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.14
Rot. Bonds5

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

2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80848761) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID80848761
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H23FN4/c1-6-16-12-18-7-9(15)11(19-12)17-8-10-13(2,3)14(10,4)5/h7,10H,6,8H2,1-5H3,(H2,16,17,18,19)
InChIKeyGWXIBGLWKJJTCY-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 80848761) is 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GWXIBGLWKJJTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-6-16-12-18-7-9(15)11(19-12)17-8-10-13(2,3)14(10,4)5/h7,10H,6,8H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80848761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).