2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine

C15H17N3O2 — CID 134843969

IUPAC2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(Nc2ccccc2)nc(OC)nc1OC
InChIInChI=1S/C15H17N3O2/c1-4-8-12-13(16-11-9-6-5-7-10-11)17-15(20-3)18-14(12)19-2/h4-7,9-10H,1,8H2,2-3H3,(H,16,17,18)
InChIKeyHFKGNURGXRFOBB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds6

About 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine

2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine (PubChem CID 134843969) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine
PubChem CID134843969
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(Nc2ccccc2)nc(OC)nc1OC
InChIInChI=1S/C15H17N3O2/c1-4-8-12-13(16-11-9-6-5-7-10-11)17-15(20-3)18-14(12)19-2/h4-7,9-10H,1,8H2,2-3H3,(H,16,17,18)
InChIKeyHFKGNURGXRFOBB-UHFFFAOYSA-N
XLogP2.97
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
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

4-iodo-2,6-dimethoxy-5-prop-2-enylpyrimidine
CID 164680509
N-phenyl-3-prop-2-enylquinolin-2-amine
CID 132549731
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
4-[(2-phenyl-6-propan-2-yl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid
CID 54586989
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
CID 123392950
CID 123392950
4-(4-chloroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
CID 11439274
2,4-dimethoxyquinazoline;hydrate;hydrochloride
CID 157300135
2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine
CID 140501524
N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 70617138
2,3-dimethoxy-6-prop-2-enylpyridine
CID 45361764
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine (CID 134843969) is 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine is C=CCc1c(Nc2ccccc2)nc(OC)nc1OC.
What is the InChIKey of 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine?
The InChIKey is HFKGNURGXRFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-8-12-13(16-11-9-6-5-7-10-11)17-15(20-3)18-14(12)19-2/h4-7,9-10H,1,8H2,2-3H3,(H,16,17,18).
What are the key properties of 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine?
2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-phenyl-5-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 134843969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).