5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine

C11H17FN4O — CID 80781506

IUPAC5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC(C)C2CCCO2)n1
InChIInChI=1S/C11H17FN4O/c1-7(9-4-3-5-17-9)15-10-8(12)6-14-11(13-2)16-10/h6-7,9H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyVBJAAKZXLSEDSH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.64
Rot. Bonds4

About 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80781506) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80781506
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC(C)C2CCCO2)n1
InChIInChI=1S/C11H17FN4O/c1-7(9-4-3-5-17-9)15-10-8(12)6-14-11(13-2)16-10/h6-7,9H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyVBJAAKZXLSEDSH-UHFFFAOYSA-N
XLogP1.64
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80781506) is 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(NC(C)C2CCCO2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is VBJAAKZXLSEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-7(9-4-3-5-17-9)15-10-8(12)6-14-11(13-2)16-10/h6-7,9H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 240.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80781506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).