5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine

C9H14FN3 — CID 115749812

IUPAC5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCC(C)CCNc1ncc(F)cn1
InChIInChI=1S/C9H14FN3/c1-7(2)3-4-11-9-12-5-8(10)6-13-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyWZQJGGOCTOHREW-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.07
Rot. Bonds4

About 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine

5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 115749812) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID115749812
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCC(C)CCNc1ncc(F)cn1
InChIInChI=1S/C9H14FN3/c1-7(2)3-4-11-9-12-5-8(10)6-13-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyWZQJGGOCTOHREW-UHFFFAOYSA-N
XLogP2.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine (CID 115749812) is 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine is CC(C)CCNc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is WZQJGGOCTOHREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7(2)3-4-11-9-12-5-8(10)6-13-9/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine?
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 183.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 115749812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).