4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol

C11H17N3O2 — CID 121006175

IUPAC4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol
SMILESC=CCCc1nc(N(C)C)nc(OC)c1O
InChIInChI=1S/C11H17N3O2/c1-5-6-7-8-9(15)10(16-4)13-11(12-8)14(2)3/h5,15H,1,6-7H2,2-4H3
InChIKeyOUFLTMFCMYAJDF-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.38
Rot. Bonds5

About 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol

4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol (PubChem CID 121006175) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol.

Molecular Properties

Compound Name4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol
PubChem CID121006175
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol
SMILESC=CCCc1nc(N(C)C)nc(OC)c1O
InChIInChI=1S/C11H17N3O2/c1-5-6-7-8-9(15)10(16-4)13-11(12-8)14(2)3/h5,15H,1,6-7H2,2-4H3
InChIKeyOUFLTMFCMYAJDF-UHFFFAOYSA-N
XLogP1.38
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4,6-dimethoxy-N,N-dimethylpyrimidin-2-amine;fluoroethene
CID 143883755
ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane
CID 143883720
ethane;5-fluoro-4-methoxy-N,N-dimethyl-6-propylpyrimidin-2-amine
CID 143883690
2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 27396198
4-N-(2-but-3-enoxyethyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106405794
2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80878030
azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
[3-but-3-enyl-4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazolo[5,4-d]pyrimidin-6-yl]-carboxycarbamic acid
CID 87509699
4-cyclobutyloxy-2-(diiodoamino)-6-hexadecylpyrimidin-5-ol
CID 139352004
N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine
CID 21488457
methyl (E)-3-[2-(dimethylamino)-6-ethenyl-5-methoxypyrimidin-4-yl]prop-2-enoate
CID 176560282
2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline
CID 121418921

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol?
The IUPAC name of 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol (CID 121006175) is 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol.
What is the SMILES notation for 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol?
The canonical SMILES for 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol is C=CCCc1nc(N(C)C)nc(OC)c1O.
What is the InChIKey of 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol?
The InChIKey is OUFLTMFCMYAJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5-6-7-8-9(15)10(16-4)13-11(12-8)14(2)3/h5,15H,1,6-7H2,2-4H3.
What are the key properties of 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol?
4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol has a molecular weight of 223.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol is sourced from PubChem (CID 121006175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).