5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine

C11H17FN4 — CID 80819842

IUPAC5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCC1(Nc2nc(N)ncc2F)CCCCC1
InChIInChI=1S/C11H17FN4/c1-11(5-3-2-4-6-11)16-9-8(12)7-14-10(13)15-9/h7H,2-6H2,1H3,(H3,13,14,15,16)
InChIKeyMTCBTGLCWRWZAC-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.33
Rot. Bonds2

About 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 80819842) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID80819842
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCC1(Nc2nc(N)ncc2F)CCCCC1
InChIInChI=1S/C11H17FN4/c1-11(5-3-2-4-6-11)16-9-8(12)7-14-10(13)15-9/h7H,2-6H2,1H3,(H3,13,14,15,16)
InChIKeyMTCBTGLCWRWZAC-UHFFFAOYSA-N
XLogP2.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine (CID 80819842) is 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine is CC1(Nc2nc(N)ncc2F)CCCCC1.
What is the InChIKey of 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is MTCBTGLCWRWZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-11(5-3-2-4-6-11)16-9-8(12)7-14-10(13)15-9/h7H,2-6H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 224.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1-methylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80819842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).