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

C11H17FN4O — CID 80799882

IUPAC4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(CC1CCCO1)c1nc(N)ncc1F
InChIInChI=1S/C11H17FN4O/c1-2-16(7-8-4-3-5-17-8)10-9(12)6-14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyJOJZTLNTUGTYCT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.20
Rot. Bonds4

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

4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80799882) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80799882
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(CC1CCCO1)c1nc(N)ncc1F
InChIInChI=1S/C11H17FN4O/c1-2-16(7-8-4-3-5-17-8)10-9(12)6-14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyJOJZTLNTUGTYCT-UHFFFAOYSA-N
XLogP1.20
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80799882) is 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is CCN(CC1CCCO1)c1nc(N)ncc1F.
What is the InChIKey of 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is JOJZTLNTUGTYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-2-16(7-8-4-3-5-17-8)10-9(12)6-14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15).
What are the key properties of 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 240.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-fluoro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80799882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).