2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol

C8H11N3O — CID 169473082

IUPAC2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol
SMILESCNCC=Cc1ncc(O)cn1
InChIInChI=1S/C8H11N3O/c1-9-4-2-3-8-10-5-7(12)6-11-8/h2-3,5-6,9,12H,4H2,1H3
InChIKeyWVYZZGOMQFAPGG-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.41
Rot. Bonds3

About 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol

2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol (PubChem CID 169473082) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol
PubChem CID169473082
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol
SMILESCNCC=Cc1ncc(O)cn1
InChIInChI=1S/C8H11N3O/c1-9-4-2-3-8-10-5-7(12)6-11-8/h2-3,5-6,9,12H,4H2,1H3
InChIKeyWVYZZGOMQFAPGG-UHFFFAOYSA-N
XLogP0.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol?
The IUPAC name of 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol (CID 169473082) is 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol.
What is the SMILES notation for 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol?
The canonical SMILES for 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol is CNCC=Cc1ncc(O)cn1.
What is the InChIKey of 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol?
The InChIKey is WVYZZGOMQFAPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-9-4-2-3-8-10-5-7(12)6-11-8/h2-3,5-6,9,12H,4H2,1H3.
What are the key properties of 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol?
2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol has a molecular weight of 165.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol is sourced from PubChem (CID 169473082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).