N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine

C9H13N3O — CID 21488457

IUPACN,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine
SMILESC=CCOc1ccnc(N(C)C)n1
InChIInChI=1S/C9H13N3O/c1-4-7-13-8-5-6-10-9(11-8)12(2)3/h4-6H,1,7H2,2-3H3
InChIKeyWRELGIXCFXPUEK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.11
Rot. Bonds4

About N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine

N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine (PubChem CID 21488457) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine
PubChem CID21488457
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine
SMILESC=CCOc1ccnc(N(C)C)n1
InChIInChI=1S/C9H13N3O/c1-4-7-13-8-5-6-10-9(11-8)12(2)3/h4-6H,1,7H2,2-3H3
InChIKeyWRELGIXCFXPUEK-UHFFFAOYSA-N
XLogP1.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine (CID 21488457) is N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine is C=CCOc1ccnc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine?
The InChIKey is WRELGIXCFXPUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-7-13-8-5-6-10-9(11-8)12(2)3/h4-6H,1,7H2,2-3H3.
What are the key properties of N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine?
N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-prop-2-enoxypyrimidin-2-amine is sourced from PubChem (CID 21488457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).