5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

C10H15FN4O — CID 80771100

IUPAC5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCC2CCCO2)n1
InChIInChI=1S/C10H15FN4O/c1-12-10-14-6-8(11)9(15-10)13-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyVLRVTOQIYHMSIA-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.25
Rot. Bonds4

About 5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80771100) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80771100
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCC2CCCO2)n1
InChIInChI=1S/C10H15FN4O/c1-12-10-14-6-8(11)9(15-10)13-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyVLRVTOQIYHMSIA-UHFFFAOYSA-N
XLogP1.25
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.25
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-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80771100) is 5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(NCC2CCCO2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VLRVTOQIYHMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-12-10-14-6-8(11)9(15-10)13-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 226.25 g/mol, XLogP of 1.25, 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-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80771100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).