5-but-2-en-2-yl-4-methoxypyrimidin-2-amine

C9H13N3O — CID 123348175

IUPAC5-but-2-en-2-yl-4-methoxypyrimidin-2-amine
SMILESCC=C(C)c1cnc(N)nc1OC
InChIInChI=1S/C9H13N3O/c1-4-6(2)7-5-11-9(10)12-8(7)13-3/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyBWQNWUXMVPMTMU-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.49
Rot. Bonds2

About 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine

5-but-2-en-2-yl-4-methoxypyrimidin-2-amine (PubChem CID 123348175) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-but-2-en-2-yl-4-methoxypyrimidin-2-amine
PubChem CID123348175
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-but-2-en-2-yl-4-methoxypyrimidin-2-amine
SMILESCC=C(C)c1cnc(N)nc1OC
InChIInChI=1S/C9H13N3O/c1-4-6(2)7-5-11-9(10)12-8(7)13-3/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyBWQNWUXMVPMTMU-UHFFFAOYSA-N
XLogP1.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine (CID 123348175) is 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine is CC=C(C)c1cnc(N)nc1OC.
What is the InChIKey of 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine?
The InChIKey is BWQNWUXMVPMTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-6(2)7-5-11-9(10)12-8(7)13-3/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine?
5-but-2-en-2-yl-4-methoxypyrimidin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 123348175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).