2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine

C11H17ClFN3 — CID 79075474

IUPAC2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine
SMILESCCC(CC)(CC)Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H17ClFN3/c1-4-11(5-2,6-3)16-9-8(13)7-14-10(12)15-9/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeySBLRDZIOBODNHO-UHFFFAOYSA-N
MW245.73 g/mol
LogP3.65
Rot. Bonds5

About 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine

2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine (PubChem CID 79075474) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine
PubChem CID79075474
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine
SMILESCCC(CC)(CC)Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H17ClFN3/c1-4-11(5-2,6-3)16-9-8(13)7-14-10(12)15-9/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeySBLRDZIOBODNHO-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine (CID 79075474) is 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine is CCC(CC)(CC)Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine?
The InChIKey is SBLRDZIOBODNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-4-11(5-2,6-3)16-9-8(13)7-14-10(12)15-9/h7H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine has a molecular weight of 245.73 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylpentan-3-yl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79075474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).