5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine

C11H17FN4O — CID 80846316

IUPAC5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(CC1CCCOC1)c1nc(N)ncc1F
InChIInChI=1S/C11H17FN4O/c1-16(6-8-3-2-4-17-7-8)10-9(12)5-14-11(13)15-10/h5,8H,2-4,6-7H2,1H3,(H2,13,14,15)
InChIKeyGDQCHBOGWMNGLR-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.06
Rot. Bonds3

About 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80846316) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80846316
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(CC1CCCOC1)c1nc(N)ncc1F
InChIInChI=1S/C11H17FN4O/c1-16(6-8-3-2-4-17-7-8)10-9(12)5-14-11(13)15-10/h5,8H,2-4,6-7H2,1H3,(H2,13,14,15)
InChIKeyGDQCHBOGWMNGLR-UHFFFAOYSA-N
XLogP1.06
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine (CID 80846316) is 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine is CN(CC1CCCOC1)c1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is GDQCHBOGWMNGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-16(6-8-3-2-4-17-7-8)10-9(12)5-14-11(13)15-10/h5,8H,2-4,6-7H2,1H3,(H2,13,14,15).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 240.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80846316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).