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

C10H15FN4O — CID 80780770

IUPAC5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1F)C1CCCO1
InChIInChI=1S/C10H15FN4O/c1-6(8-3-2-4-16-8)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H3,12,13,14,15)
InChIKeyJNNPBDHOGWGQFA-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.18
Rot. Bonds3

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

5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80780770) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80780770
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1F)C1CCCO1
InChIInChI=1S/C10H15FN4O/c1-6(8-3-2-4-16-8)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H3,12,13,14,15)
InChIKeyJNNPBDHOGWGQFA-UHFFFAOYSA-N
XLogP1.18
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80780770) is 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine is CC(Nc1nc(N)ncc1F)C1CCCO1.
What is the InChIKey of 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is JNNPBDHOGWGQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-6(8-3-2-4-16-8)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 226.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80780770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).